 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer03_STD_LCPBE_augccpVDZ.in
 Output=22_phenylethanamine_conformer03_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-227058.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    227064.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=22_phenylethanamine_conformer03_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=028200000
 0,3/108=0282000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=282000000,108=282000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "22_phenylethanamine_conformer03_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.759102000000      1.294865000000      0.124219000000
  C                                                -0.385999000000      1.089252000000      0.091522000000
  C                                                 0.143220000000     -0.195011000000     -0.038794000000
  C                                                -0.738993000000     -1.267271000000     -0.139586000000
  C                                                -2.114323000000     -1.067587000000     -0.113927000000
  C                                                -2.629131000000      0.215606000000      0.019441000000
  C                                                 1.640191000000     -0.425479000000     -0.053017000000
  N                                                 2.173891000000     -0.208169000000      1.300507000000
  C                                                 2.343118000000      0.395962000000     -1.141195000000
  H                                                 1.921765000000      0.715604000000      1.634380000000
  H                                                 1.800966000000     -1.482881000000     -0.280603000000
  H                                                 2.234739000000      1.467081000000     -0.959830000000
  H                                                 1.932322000000      0.176383000000     -2.128993000000
  H                                                 3.410705000000      0.164795000000     -1.156871000000
  H                                                -0.342500000000     -2.270931000000     -0.234294000000
  H                                                -2.783048000000     -1.915102000000     -0.194949000000
  H                                                -3.699496000000      0.374691000000      0.041084000000
  H                                                -2.150672000000      2.298939000000      0.227511000000
  H                                                 0.276829000000      1.942910000000      0.165669000000
  H                                                 3.187261000000     -0.256330000000      1.291368000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.759102    1.294865    0.124219
      2          6           0       -0.385999    1.089252    0.091522
      3          6           0        0.143220   -0.195011   -0.038794
      4          6           0       -0.738993   -1.267271   -0.139586
      5          6           0       -2.114323   -1.067587   -0.113927
      6          6           0       -2.629131    0.215606    0.019441
      7          6           0        1.640191   -0.425479   -0.053017
      8          7           0        2.173891   -0.208169    1.300507
      9          6           0        2.343118    0.395962   -1.141195
     10          1           0        1.921765    0.715604    1.634380
     11          1           0        1.800966   -1.482881   -0.280603
     12          1           0        2.234739    1.467081   -0.959830
     13          1           0        1.932322    0.176383   -2.128993
     14          1           0        3.410705    0.164795   -1.156871
     15          1           0       -0.342500   -2.270931   -0.234294
     16          1           0       -2.783048   -1.915102   -0.194949
     17          1           0       -3.699496    0.374691    0.041084
     18          1           0       -2.150672    2.298939    0.227511
     19          1           0        0.276829    1.942910    0.165669
     20          1           0        3.187261   -0.256330    1.291368
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.388797   0.000000
     3  C    2.421804   1.395130   0.000000
     4  C    2.770335   2.393996   1.392193   0.000000
     5  C    2.400849   2.771510   2.421474   1.389987   0.000000
     6  C    1.390226   2.408338   2.803200   2.407662   1.389028
     7  C    3.813947   2.533919   1.514675   2.525198   3.809513
     8  N    4.371636   3.114158   2.432596   3.417669   4.596521
     9  C    4.386058   3.073812   2.530630   3.642660   4.802711
    10  H    4.020561   2.801035   2.606138   3.762763   4.746194
    11  H    4.533634   3.396640   2.113103   2.552991   3.940779
    12  H    4.141930   2.848923   2.825829   4.122204   5.104354
    13  H    4.467055   3.337458   2.776284   3.630124   4.688634
    14  H    5.444736   4.102203   3.472177   4.506182   5.756078
    15  H    3.853595   3.376222   2.140932   1.083287   2.145200
    16  H    3.384409   3.854096   3.397961   2.144973   1.082608
    17  H    2.149130   3.390045   3.885538   3.390171   2.148713
    18  H    1.082664   2.143807   3.398918   3.852980   3.383991
    19  H    2.136983   1.083315   2.151828   3.380878   3.854721
    20  H    5.313657   4.002300   3.322541   4.299430   5.544347
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.317795   0.000000
     8  N    4.988961   1.471083   0.000000
     9  C    5.109096   1.533950   2.521016   0.000000
    10  H    4.854759   2.056371   1.014098   2.825513   0.000000
    11  H    4.754013   1.093500   2.064915   2.136492   2.918062
    12  H    5.116873   2.181188   2.814123   1.091758   2.718933
    13  H    5.042238   2.181113   3.459437   1.092114   3.801822
    14  H    6.153528   2.168326   2.776242   1.092440   3.211139
    15  H    3.387614   2.714704   3.597614   3.891957   4.187867
    16  H    2.146991   4.669493   5.451720   5.702103   5.692304
    17  H    1.082339   5.400128   6.035110   6.157225   5.852639
    18  H    2.147671   4.676729   5.112608   5.068415   4.590313
    19  H    3.383721   2.741504   3.084452   2.893180   2.523729
    20  H    5.972515   2.056552   1.014555   2.656205   1.632113
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.058069   0.000000
    13  H    2.487359   1.767569   0.000000
    14  H    2.464537   1.765693   1.769399   0.000000
    15  H    2.284210   4.597967   3.841099   4.568420   0.000000
    16  H    4.605142   6.099376   5.509043   6.604078   2.466665
    17  H    5.814563   6.116395   6.038703   7.213467   4.283056
    18  H    5.493249   4.618831   5.170029   6.115554   4.936240
    19  H    3.776003   2.307937   3.335678   3.838227   4.277849
    20  H    2.428443   2.990875   3.668921   2.494223   4.341137
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477648   0.000000
    18  H    4.282116   2.477164   0.000000
    19  H    4.937322   4.276212   2.454250   0.000000
    20  H    6.372225   7.027718   6.012880   3.817652   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 8.15D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.759102    1.294865    0.124219
      2          6           0       -0.385999    1.089252    0.091522
      3          6           0        0.143220   -0.195011   -0.038794
      4          6           0       -0.738993   -1.267271   -0.139586
      5          6           0       -2.114323   -1.067587   -0.113927
      6          6           0       -2.629131    0.215606    0.019441
      7          6           0        1.640191   -0.425479   -0.053017
      8          7           0        2.173891   -0.208169    1.300507
      9          6           0        2.343118    0.395962   -1.141195
     10          1           0        1.921765    0.715604    1.634380
     11          1           0        1.800966   -1.482881   -0.280603
     12          1           0        2.234739    1.467081   -0.959830
     13          1           0        1.932322    0.176383   -2.128993
     14          1           0        3.410705    0.164795   -1.156871
     15          1           0       -0.342500   -2.270931   -0.234294
     16          1           0       -2.783048   -1.915102   -0.194949
     17          1           0       -3.699496    0.374691    0.041084
     18          1           0       -2.150672    2.298939    0.227511
     19          1           0        0.276829    1.942910    0.165669
     20          1           0        3.187261   -0.256330    1.291368
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4238817           1.0937065           0.9971853
 Leave Link  202 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 340 were deleted.
 There are   324 symmetry adapted cartesian basis functions of A   symmetry.
 There are   306 symmetry adapted basis functions of A   symmetry.
   306 basis functions,   555 primitive gaussians,   324 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.2473536436 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.282000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.282000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:              11.2 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   306 RedAO= T EigKep=  1.75D-06  NBF=   306
 NBsUse=   306 1.00D-06 EigRej= -1.00D+00 NBFU=   306
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   324   324   324   324   324 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer03_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:22:10 2021, MaxMem=  5637144576 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636928854 LenY=  5636823437
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -365.058991454071    
 DIIS: error= 3.13D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -365.058991454071     IErMin= 1 ErrMin= 3.13D-03
 ErrMax= 3.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.44D-03 BMatP= 9.44D-03
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.13D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.376 Goal=   None    Shift=    0.000
 GapD=    0.376 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.87D-02 MaxDP=2.73D+00              OVMax= 2.38D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.75D-02    CP:  1.61D+00
 E= -365.068051946411     Delta-E=       -0.009060492340 Rises=F Damp=F
 DIIS: error= 1.02D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -365.068051946411     IErMin= 2 ErrMin= 1.02D-03
 ErrMax= 1.02D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.90D-04 BMatP= 9.44D-03
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.02D-02
 Coeff-Com: -0.165D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.164D-01 0.102D+01
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=8.74D-03 MaxDP=5.06D-01 DE=-9.06D-03 OVMax= 8.25D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.57D-03    CP:  1.73D+00  1.17D+00
 E= -365.068329923522     Delta-E=       -0.000277977111 Rises=F Damp=F
 DIIS: error= 3.69D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -365.068329923522     IErMin= 3 ErrMin= 3.69D-04
 ErrMax= 3.69D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.65D-04 BMatP= 2.90D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.69D-03
 Coeff-Com: -0.298D-01 0.437D+00 0.593D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.297D-01 0.436D+00 0.594D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=9.33D-04 MaxDP=4.61D-02 DE=-2.78D-04 OVMax= 3.81D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.71D-04    CP:  1.74D+00  1.19D+00  1.07D+00
 E= -365.068480076461     Delta-E=       -0.000150152939 Rises=F Damp=F
 DIIS: error= 1.02D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -365.068480076461     IErMin= 4 ErrMin= 1.02D-04
 ErrMax= 1.02D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.82D-06 BMatP= 1.65D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.02D-03
 Coeff-Com: -0.418D-02-0.186D-01 0.136D+00 0.887D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.418D-02-0.186D-01 0.135D+00 0.887D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=3.91D-04 MaxDP=2.07D-02 DE=-1.50D-04 OVMax= 1.55D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.05D-04    CP:  1.74D+00  1.20D+00  1.14D+00  1.26D+00
 E= -365.068489700085     Delta-E=       -0.000009623624 Rises=F Damp=F
 DIIS: error= 5.38D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -365.068489700085     IErMin= 5 ErrMin= 5.38D-05
 ErrMax= 5.38D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-06 BMatP= 7.82D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.123D-02-0.503D-01-0.417D-02 0.335D+00 0.718D+00
 Coeff:      0.123D-02-0.503D-01-0.417D-02 0.335D+00 0.718D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=5.98D-05 MaxDP=3.28D-03 DE=-9.62D-06 OVMax= 6.64D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.31D-05    CP:  1.74D+00  1.20D+00  1.16D+00  1.32D+00  1.29D+00
 E= -365.068491208854     Delta-E=       -0.000001508769 Rises=F Damp=F
 DIIS: error= 6.82D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -365.068491208854     IErMin= 6 ErrMin= 6.82D-06
 ErrMax= 6.82D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.20D-08 BMatP= 1.14D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.663D-03-0.654D-02-0.111D-01-0.240D-01 0.122D+00 0.919D+00
 Coeff:      0.663D-03-0.654D-02-0.111D-01-0.240D-01 0.122D+00 0.919D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=3.36D-05 MaxDP=1.72D-03 DE=-1.51D-06 OVMax= 2.71D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.08D-06    CP:  1.74D+00  1.20D+00  1.16D+00  1.36D+00  1.43D+00
                    CP:  1.15D+00
 E= -365.068491335729     Delta-E=       -0.000000126874 Rises=F Damp=F
 DIIS: error= 2.59D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -365.068491335729     IErMin= 7 ErrMin= 2.59D-06
 ErrMax= 2.59D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.72D-09 BMatP= 5.20D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.761D-04 0.254D-02-0.226D-02-0.376D-01-0.322D-01 0.247D+00
 Coeff-Com:  0.822D+00
 Coeff:      0.761D-04 0.254D-02-0.226D-02-0.376D-01-0.322D-01 0.247D+00
 Coeff:      0.822D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=1.16D-05 MaxDP=6.50D-04 DE=-1.27D-07 OVMax= 9.85D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.75D-06    CP:  1.74D+00  1.20D+00  1.16D+00  1.37D+00  1.46D+00
                    CP:  1.24D+00  1.13D+00
 E= -365.068491351289     Delta-E=       -0.000000015560 Rises=F Damp=F
 DIIS: error= 1.74D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -365.068491351289     IErMin= 8 ErrMin= 1.74D-06
 ErrMax= 1.74D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.34D-09 BMatP= 7.72D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.880D-04 0.237D-02 0.918D-03-0.145D-01-0.356D-01-0.352D-01
 Coeff-Com:  0.395D+00 0.687D+00
 Coeff:     -0.880D-04 0.237D-02 0.918D-03-0.145D-01-0.356D-01-0.352D-01
 Coeff:      0.395D+00 0.687D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=3.00D-06 MaxDP=1.33D-04 DE=-1.56D-08 OVMax= 3.99D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.19D-06    CP:  1.74D+00  1.20D+00  1.16D+00  1.38D+00  1.47D+00
                    CP:  1.25D+00  1.19D+00  1.04D+00
 E= -365.068491355039     Delta-E=       -0.000000003750 Rises=F Damp=F
 DIIS: error= 4.03D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -365.068491355039     IErMin= 9 ErrMin= 4.03D-07
 ErrMax= 4.03D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.35D-11 BMatP= 2.34D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.126D-04-0.907D-04 0.307D-03 0.298D-02 0.798D-03-0.334D-01
 Coeff-Com: -0.520D-01 0.729D-01 0.101D+01
 Coeff:     -0.126D-04-0.907D-04 0.307D-03 0.298D-02 0.798D-03-0.334D-01
 Coeff:     -0.520D-01 0.729D-01 0.101D+01
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=9.39D-07 MaxDP=4.45D-05 DE=-3.75D-09 OVMax= 1.69D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.81D-07    CP:  1.74D+00  1.20D+00  1.16D+00  1.38D+00  1.47D+00
                    CP:  1.25D+00  1.20D+00  1.10D+00  1.12D+00
 E= -365.068491355340     Delta-E=       -0.000000000301 Rises=F Damp=F
 DIIS: error= 1.23D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -365.068491355340     IErMin=10 ErrMin= 1.23D-07
 ErrMax= 1.23D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-11 BMatP= 8.35D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.311D-05-0.239D-03 0.218D-04 0.238D-02 0.340D-02-0.800D-02
 Coeff-Com: -0.519D-01-0.388D-01 0.340D+00 0.753D+00
 Coeff:      0.311D-05-0.239D-03 0.218D-04 0.238D-02 0.340D-02-0.800D-02
 Coeff:     -0.519D-01-0.388D-01 0.340D+00 0.753D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=3.43D-07 MaxDP=2.13D-05 DE=-3.01D-10 OVMax= 4.00D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.00D-07    CP:  1.74D+00  1.20D+00  1.16D+00  1.38D+00  1.47D+00
                    CP:  1.25D+00  1.20D+00  1.11D+00  1.15D+00  9.80D-01
 E= -365.068491355341     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 3.91D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -365.068491355341     IErMin=11 ErrMin= 3.91D-08
 ErrMax= 3.91D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-12 BMatP= 1.48D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.319D-05-0.689D-04-0.447D-04 0.374D-03 0.866D-03 0.243D-02
 Coeff-Com: -0.837D-02-0.245D-01-0.371D-01 0.216D+00 0.850D+00
 Coeff:      0.319D-05-0.689D-04-0.447D-04 0.374D-03 0.866D-03 0.243D-02
 Coeff:     -0.837D-02-0.245D-01-0.371D-01 0.216D+00 0.850D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=9.80D-08 MaxDP=4.23D-06 DE=-7.96D-13 OVMax= 1.81D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.21D-08    CP:  1.74D+00  1.20D+00  1.16D+00  1.38D+00  1.47D+00
                    CP:  1.25D+00  1.20D+00  1.11D+00  1.16D+00  1.04D+00
                    CP:  9.66D-01
 E= -365.068491355374     Delta-E=       -0.000000000033 Rises=F Damp=F
 DIIS: error= 1.45D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -365.068491355374     IErMin=12 ErrMin= 1.45D-08
 ErrMax= 1.45D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-13 BMatP= 1.87D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.395D-06 0.139D-04-0.171D-04-0.215D-03-0.290D-03 0.174D-02
 Coeff-Com:  0.494D-02-0.176D-02-0.549D-01-0.528D-01 0.214D+00 0.889D+00
 Coeff:      0.395D-06 0.139D-04-0.171D-04-0.215D-03-0.290D-03 0.174D-02
 Coeff:      0.494D-02-0.176D-02-0.549D-01-0.528D-01 0.214D+00 0.889D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=2.51D-08 MaxDP=1.72D-06 DE=-3.29D-11 OVMax= 6.56D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.21D-08    CP:  1.74D+00  1.20D+00  1.16D+00  1.38D+00  1.47D+00
                    CP:  1.25D+00  1.20D+00  1.10D+00  1.15D+00  1.05D+00
                    CP:  1.05D+00  1.06D+00
 E= -365.068491355391     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 4.89D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -365.068491355391     IErMin=13 ErrMin= 4.89D-09
 ErrMax= 4.89D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-14 BMatP= 2.13D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.117D-06 0.907D-05-0.185D-05-0.864D-04-0.149D-03 0.311D-03
 Coeff-Com:  0.201D-02 0.124D-02-0.126D-01-0.302D-01-0.427D-02 0.247D+00
 Coeff-Com:  0.796D+00
 Coeff:     -0.117D-06 0.907D-05-0.185D-05-0.864D-04-0.149D-03 0.311D-03
 Coeff:      0.201D-02 0.124D-02-0.126D-01-0.302D-01-0.427D-02 0.247D+00
 Coeff:      0.796D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=1.40D-08 MaxDP=7.86D-07 DE=-1.73D-11 OVMax= 1.27D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.32D-09    CP:  1.74D+00  1.20D+00  1.16D+00  1.38D+00  1.47D+00
                    CP:  1.25D+00  1.20D+00  1.10D+00  1.15D+00  1.05D+00
                    CP:  1.05D+00  1.12D+00  1.10D+00
 E= -365.068491355404     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 2.73D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -365.068491355404     IErMin=14 ErrMin= 2.73D-09
 ErrMax= 2.73D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.08D-15 BMatP= 1.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.101D-06 0.193D-05 0.138D-05-0.707D-05-0.227D-04-0.100D-03
 Coeff-Com:  0.174D-03 0.757D-03 0.224D-02-0.438D-02-0.309D-01-0.229D-01
 Coeff-Com:  0.334D+00 0.722D+00
 Coeff:     -0.101D-06 0.193D-05 0.138D-05-0.707D-05-0.227D-04-0.100D-03
 Coeff:      0.174D-03 0.757D-03 0.224D-02-0.438D-02-0.309D-01-0.229D-01
 Coeff:      0.334D+00 0.722D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=4.76D-09 MaxDP=2.56D-07 DE=-1.34D-11 OVMax= 4.69D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -365.068491355     A.U. after   14 cycles
            NFock= 14  Conv=0.48D-08     -V/T= 2.0047
 KE= 3.633455522152D+02 PE=-1.698902592193D+03 EE= 5.452411949791D+02
 Leave Link  502 at Mon Aug 16 21:24:42 2021, MaxMem=  5637144576 cpu:            1217.7 elap:             152.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   306
 NBasis=   306 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    306 NOA=    33 NOB=    33 NVA=   273 NVB=   273

 **** Warning!!: The largest alpha MO coefficient is  0.12328285D+03

 Leave Link  801 at Mon Aug 16 21:24:43 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6185 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.50D-13 8.33D-09 XBig12= 1.00D+00 3.39D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.50D-13 8.33D-09 XBig12= 2.07D-01 7.25D-02.
     11 vectors produced by pass  2 Test12= 1.50D-13 8.33D-09 XBig12= 4.02D-02 5.04D-02.
     11 vectors produced by pass  3 Test12= 1.50D-13 8.33D-09 XBig12= 3.90D-03 1.27D-02.
     11 vectors produced by pass  4 Test12= 1.50D-13 8.33D-09 XBig12= 4.15D-04 4.25D-03.
     11 vectors produced by pass  5 Test12= 1.50D-13 8.33D-09 XBig12= 3.22D-05 7.94D-04.
     11 vectors produced by pass  6 Test12= 1.50D-13 8.33D-09 XBig12= 1.25D-06 2.32D-04.
     11 vectors produced by pass  7 Test12= 1.50D-13 8.33D-09 XBig12= 2.74D-08 3.39D-05.
     11 vectors produced by pass  8 Test12= 1.50D-13 8.33D-09 XBig12= 6.01D-10 3.29D-06.
     10 vectors produced by pass  9 Test12= 1.50D-13 8.33D-09 XBig12= 1.46D-11 5.47D-07.
      8 vectors produced by pass 10 Test12= 1.50D-13 8.33D-09 XBig12= 3.04D-13 1.03D-07.
      1 vectors produced by pass 11 Test12= 1.50D-13 8.33D-09 XBig12= 1.10D-14 1.63D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.135796D+03
      2  0.879471D+00  0.109287D+03
      3 -0.761137D+00  0.221688D+01  0.800100D+02
 Isotropic polarizability for W=    0.085645      108.36 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.626477D+02  0.240489D+01  0.341987D+01
      2   0.129024D+02  0.381330D+01  0.495349D+01
      3   0.497454D+02 -0.621819D+01 -0.837337D+01
      4   0.995759D+01 -0.717228D+02 -0.184742D+02
      5  -0.915439D+01 -0.176323D+02  0.536102D+02
      6  -0.567960D+01 -0.536744D+01  0.190457D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.145108D+01 -0.156679D+01 -0.135224D+01
      2   0.207012D+01 -0.829753D+01  0.199692D+02
      3  -0.482034D+01  0.344717D+02  0.730877D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.841967D+00 -0.103209D+02 -0.812276D+01
      2   0.125743D+02 -0.127946D+02  0.386479D+01
      3   0.755270D+01  0.846251D+02  0.119527D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.283889D+00  0.155833D+00  0.147189D+01
      2   0.155833D+00  0.118127D+01 -0.254897D+01
      3   0.147189D+01 -0.254897D+01 -0.435062D+00
 OR G Eigenvalues:    -2.9398     0.1825     3.2196  Iso=    -0.1541
 Eigenvectors:
   (1)  -0.445963   0.482964   0.753567
   (2)   0.866155   0.445074   0.227344
   (3)  -0.225594   0.754092  -0.616808
 w=    0.085645 a.u., Optical Rotation Beta=     -0.1541 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =      -60.31 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   46971 ScalPx= 1.85D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.09D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.50D-14 2.78D-09 XBig12= 1.00D+00 5.33D-01.
     30 vectors produced by pass  1 Test12= 2.50D-14 2.78D-09 XBig12= 5.27D-02 3.82D-02.
     30 vectors produced by pass  2 Test12= 2.50D-14 2.78D-09 XBig12= 1.66D-03 5.62D-03.
     30 vectors produced by pass  3 Test12= 2.50D-14 2.78D-09 XBig12= 1.75D-05 7.94D-04.
     30 vectors produced by pass  4 Test12= 2.50D-14 2.78D-09 XBig12= 3.65D-07 9.77D-05.
     30 vectors produced by pass  5 Test12= 2.50D-14 2.78D-09 XBig12= 4.30D-09 6.46D-06.
     30 vectors produced by pass  6 Test12= 2.50D-14 2.78D-09 XBig12= 4.35D-11 7.14D-07.
     30 vectors produced by pass  7 Test12= 2.50D-14 2.78D-09 XBig12= 3.90D-13 5.52D-08.
     10 vectors produced by pass  8 Test12= 2.50D-14 2.78D-09 XBig12= 4.85D-15 7.43D-09.
      3 vectors produced by pass  9 Test12= 2.50D-14 2.78D-09 XBig12= 9.55D-16 3.74D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   253 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 7.71D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 7.71D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.37D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.135796D+03  0.879471D+00 -0.761137D+00
      2   0.879471D+00  0.109287D+03  0.221688D+01
      3  -0.761137D+00  0.221688D+01  0.800100D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.145108D+01 -0.156679D+01 -0.135224D+01
      2   0.207012D+01 -0.829753D+01  0.199692D+02
      3  -0.482034D+01  0.344717D+02  0.730877D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.626477D+02  0.240489D+01  0.341987D+01
      2   0.129024D+02  0.381330D+01  0.495349D+01
      3   0.497454D+02 -0.621819D+01 -0.837337D+01
      4   0.995759D+01 -0.717228D+02 -0.184742D+02
      5  -0.915439D+01 -0.176323D+02  0.536102D+02
      6  -0.567960D+01 -0.536744D+01  0.190457D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.343979D+01 -0.676939D+00 -0.193355D+00  0.504598D+01 -0.310532D+00
      2  -0.676939D+00 -0.195762D+01 -0.459936D-01 -0.310532D+00  0.121586D+01
      3  -0.193355D+00 -0.459936D-01 -0.926239D+00  0.168388D+00 -0.552240D+00
                 6             7             8             9            10 
      1   0.168388D+00  0.649969D+00  0.216791D+00 -0.192003D+01 -0.269447D+01
      2  -0.552240D+00  0.216791D+00 -0.653410D+00  0.412658D+01 -0.686092D+00
      3   0.237996D+01 -0.192003D+01  0.412658D+01  0.123947D+01  0.121936D+00
                11            12            13            14            15 
      1  -0.686092D+00  0.121936D+00  0.761529D+01  0.186757D+00 -0.100353D+00
      2   0.355245D+01  0.203171D+00  0.186757D+00  0.994725D+00 -0.269775D+00
      3   0.203171D+00  0.188429D+01 -0.100353D+00 -0.269775D+00  0.130845D+01
                16            17            18            19            20 
      1   0.805880D+00 -0.805400D-01  0.175146D+01  0.158915D+02 -0.143323D+01
      2  -0.805400D-01 -0.561641D+00  0.315744D+01 -0.143323D+01  0.244714D+01
      3   0.175146D+01  0.315744D+01  0.809678D+00 -0.852436D-02  0.232160D+00
                21            22            23            24            25 
      1  -0.852436D-02 -0.268834D+01 -0.144584D+01 -0.840364D+00 -0.418631D+00
      2   0.232160D+00 -0.144584D+01 -0.819892D+00 -0.196730D+00 -0.624269D+00
      3   0.175336D+01 -0.840364D+00 -0.196730D+00  0.429587D+00  0.426486D+01
                26            27            28            29            30 
      1  -0.624269D+00  0.426486D+01 -0.414281D+01  0.249032D+01  0.203516D+00
      2  -0.490924D-01 -0.301296D+00  0.249032D+01  0.254340D+01  0.643894D-01
      3  -0.301296D+00  0.342965D-02  0.203516D+00  0.643894D-01  0.139770D+01
                31            32            33            34            35 
      1  -0.602528D+01  0.480542D-01 -0.344924D-01 -0.678213D+00 -0.197438D+00
      2   0.480542D-01 -0.138318D+01  0.329625D+00 -0.197438D+00  0.549887D+00
      3  -0.344924D-01  0.329625D+00 -0.204950D+01  0.121884D+01 -0.388873D+01
                36            37            38            39            40 
      1   0.121884D+01  0.170867D+01 -0.537513D+00 -0.825154D-02 -0.551153D+01
      2  -0.388873D+01 -0.537513D+00 -0.341778D+01 -0.347979D+00  0.718994D+00
      3  -0.114632D+01 -0.825154D-02 -0.347979D+00 -0.151582D+01  0.293886D+00
                41            42            43            44            45 
      1   0.718994D+00  0.293886D+00 -0.779248D+00  0.344769D+00 -0.312962D+01
      2  -0.240569D+00  0.593992D+00  0.344769D+00  0.703734D+00 -0.353207D+01
      3   0.593992D+00 -0.202982D+01 -0.312962D+01 -0.353207D+01 -0.941152D+00
                46            47            48            49            50 
      1  -0.534183D+01  0.172564D+00  0.403257D-02  0.847955D+00  0.102620D+01
      2   0.172564D+00 -0.320431D+01 -0.541289D-01  0.102620D+01 -0.424201D+00
      3   0.403257D-02 -0.541289D-01 -0.285007D+01  0.798399D+00 -0.218734D+00
                51            52            53            54            55 
      1   0.798399D+00  0.664389D-01  0.672519D+00 -0.549476D+01 -0.222271D+01
      2  -0.218734D+00  0.672519D+00 -0.132332D+00  0.662360D+00 -0.414769D+00
      3   0.436048D+00 -0.549476D+01  0.662360D+00  0.274752D+00  0.223056D+00
                56            57            58            59            60 
      1  -0.414769D+00  0.223056D+00 -0.176593D+01 -0.111225D+01  0.139512D+01
      2  -0.707072D+00  0.138150D+01 -0.111225D+01  0.599063D+01  0.286261D+01
      3   0.138150D+01 -0.414727D+01  0.139512D+01  0.286261D+01 -0.294969D+01
                61            62            63            64            65 
      1  -0.535730D+00  0.105359D+01 -0.552760D+01 -0.813941D+01 -0.459752D-01
      2   0.105359D+01  0.210917D+01 -0.485969D+00 -0.459752D-01  0.967903D+00
      3  -0.552760D+01 -0.485969D+00  0.483905D+00 -0.125700D+00 -0.678703D+00
                66            67            68            69            70 
      1  -0.125700D+00  0.929666D-01  0.117900D+01 -0.105730D+01  0.272977D+01
      2  -0.678703D+00  0.117900D+01 -0.391099D+01 -0.118387D+01 -0.935835D+00
      3   0.127776D+01 -0.105730D+01 -0.118387D+01 -0.158601D+00  0.316156D+01
                71            72            73            74            75 
      1  -0.935835D+00  0.316156D+01 -0.883267D+01  0.181743D+01  0.319312D+00
      2  -0.208126D+01 -0.107231D+01  0.181743D+01  0.946464D+00 -0.832837D+00
      3  -0.107231D+01  0.360681D+01  0.319312D+00 -0.832837D+00  0.468366D+01
                76            77            78            79            80 
      1   0.413563D+01  0.741365D+00 -0.113980D+01 -0.232818D+01 -0.118348D+01
      2   0.741365D+00 -0.485466D+01 -0.170191D+01 -0.118348D+01 -0.156797D+01
      3  -0.113980D+01 -0.170191D+01  0.337294D+01  0.395324D+01  0.175867D+01
                81            82            83            84            85 
      1   0.395324D+01 -0.788674D+00  0.460619D+00 -0.956179D-01  0.218969D+01
      2   0.175867D+01  0.460619D+00 -0.115645D+01 -0.201406D+00  0.382519D-01
      3   0.402612D+01 -0.956179D-01 -0.201406D+00 -0.916352D+00  0.449548D+00
                86            87            88            89            90 
      1   0.382519D-01  0.449548D+00  0.763447D+00  0.269468D+00  0.340465D+00
      2   0.406295D+01  0.235502D+01  0.269468D+00  0.264352D+01  0.910886D+00
      3   0.235502D+01  0.225826D+01  0.340465D+00  0.910886D+00  0.221617D+01
                91            92            93            94            95 
      1   0.615226D-01 -0.116292D+01 -0.381211D+00 -0.263333D+01  0.173406D+01
      2  -0.116292D+01  0.122962D+01  0.111320D+00  0.173406D+01 -0.693920D+01
      3  -0.381211D+00  0.111320D+00  0.923464D+00  0.761611D-01 -0.137954D+01
                96            97            98            99           100 
      1   0.761611D-01 -0.477427D+00  0.162516D+00  0.914115D+00  0.391337D+00
      2  -0.137954D+01  0.162516D+00 -0.128417D+01 -0.119717D+01  0.571528D+00
      3  -0.155710D+01  0.914115D+00 -0.119717D+01 -0.847891D+00  0.157939D+00
               101           102           103           104           105 
      1   0.571528D+00  0.157939D+00  0.214144D+01  0.697062D+00 -0.410247D+00
      2  -0.101737D+00  0.176225D+00  0.697062D+00  0.661708D+01 -0.236258D+00
      3   0.176225D+00 -0.614043D+00 -0.410247D+00 -0.236258D+00  0.156655D+01
               106           107           108           109           110 
      1   0.852021D+00  0.300853D+00 -0.348821D+00 -0.232775D+00 -0.323869D+00
      2   0.300853D+00  0.873036D+00  0.619248D+00 -0.323869D+00 -0.510226D+00
      3  -0.348821D+00  0.619248D+00 -0.268711D+00 -0.925202D+00  0.579293D-01
               111           112           113           114           115 
      1  -0.925202D+00 -0.822914D+00 -0.120058D+00  0.162058D+00 -0.163805D+01
      2   0.579293D-01 -0.120058D+00 -0.153192D+00 -0.938095D+00 -0.127149D+00
      3  -0.287124D+01  0.162058D+00 -0.938095D+00 -0.171409D+01 -0.430532D+00
               116           117           118           119           120 
      1  -0.127149D+00 -0.430532D+00  0.125362D+02 -0.700267D+00 -0.197658D+01
      2  -0.113719D+01 -0.315820D+00 -0.700267D+00  0.112039D+01 -0.232823D-01
      3  -0.315820D+00 -0.944733D+01 -0.197658D+01 -0.232823D-01  0.151532D+01
               121           122           123           124           125 
      1  -0.231909D+01  0.114527D+01  0.515874D+00 -0.771186D-01  0.211267D+00
      2   0.114527D+01 -0.692764D-01 -0.984012D-01  0.211267D+00  0.189264D+00
      3   0.515874D+00 -0.984012D-01 -0.893210D+00  0.943172D+00 -0.238716D+00
               126           127           128           129           130 
      1   0.943172D+00  0.160376D+01 -0.176007D+01 -0.158284D+00 -0.168026D+01
      2  -0.238716D+00 -0.176007D+01  0.227248D+01  0.205407D+00  0.200562D+01
      3  -0.822021D+00 -0.158284D+00  0.205407D+00  0.211960D+00  0.216369D+00
               131           132           133           134           135 
      1   0.200562D+01  0.216369D+00 -0.592101D-01  0.213284D+00 -0.396740D-01
      2  -0.896029D+01 -0.712368D+00  0.213284D+00 -0.744810D+00 -0.204661D+00
      3  -0.712368D+00 -0.102073D+01 -0.396740D-01 -0.204661D+00 -0.731282D-01
               136           137           138           139           140 
      1  -0.504438D+01 -0.385998D+01 -0.358235D+00 -0.385253D+01 -0.446142D+01
      2  -0.385998D+01 -0.359639D+01 -0.268748D+00 -0.446142D+01 -0.663196D+01
      3  -0.358235D+00 -0.268748D+00 -0.645942D+00 -0.412667D+00 -0.537268D+00
               141           142           143           144           145 
      1  -0.412667D+00 -0.327443D+00 -0.415447D+00 -0.106903D+00 -0.130223D+02
      2  -0.537268D+00 -0.415447D+00 -0.642964D+00 -0.927338D-01  0.146082D+01
      3  -0.870726D+00 -0.106903D+00 -0.927338D-01 -0.765981D-01  0.234480D+00
               146           147           148           149           150 
      1   0.146082D+01  0.234480D+00  0.148086D+01 -0.173631D+01 -0.189236D+00
      2  -0.102898D+01 -0.123929D-01 -0.173631D+01  0.541935D+00  0.471455D-01
      3  -0.123929D-01 -0.101220D+01 -0.189236D+00  0.471455D-01  0.157079D+00
               151           152           153           154           155 
      1   0.188542D+00 -0.199498D+00  0.160525D-01 -0.221683D+01  0.256537D+01
      2  -0.199498D+00  0.500203D-01  0.179933D-01  0.256537D+01 -0.282557D+01
      3   0.160525D-01  0.179933D-01  0.319213D-01  0.275009D+00 -0.273882D+00
               156           157           158           159           160 
      1   0.275009D+00  0.237522D+01 -0.379191D+01 -0.406237D+00  0.273343D+00
      2  -0.273882D+00 -0.379191D+01  0.967529D+01  0.922894D+00 -0.383959D+00
      3  -0.397304D+00 -0.406237D+00  0.922894D+00  0.104379D+01 -0.668506D-01
               161           162           163           164           165 
      1  -0.383959D+00 -0.668506D-01  0.367653D+01  0.223317D+01  0.552483D-01
      2   0.965204D+00  0.150242D+00  0.223317D+01  0.241675D+01  0.165764D+00
      3   0.150242D+00  0.112936D+00  0.552483D-01  0.165764D+00  0.422927D+00
               166           167           168           169           170 
      1   0.270400D+01  0.283849D+01  0.251478D+00 -0.300229D-01  0.222300D+00
      2   0.283849D+01  0.567721D+01  0.427203D+00  0.222300D+00  0.504450D+00
      3   0.251478D+00  0.427203D+00  0.883361D+00 -0.520932D-01  0.105871D+00
               171           172           173           174           175 
      1  -0.520932D-01  0.133696D+02 -0.170203D+00  0.263643D+01 -0.132982D+01
      2   0.105871D+00 -0.170203D+00  0.100953D+01  0.141485D+00  0.619195D+00
      3   0.173732D-01  0.263643D+01  0.141485D+00  0.182604D+01  0.263418D+00
               176           177           178           179           180 
      1   0.619195D+00  0.263418D+00  0.101987D+01  0.480266D+00  0.553137D+00
      2  -0.388279D+00  0.486704D+00  0.480266D+00  0.266549D+00 -0.179816D+00
      3   0.486704D+00 -0.592563D+00  0.553137D+00 -0.179816D+00  0.800597D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.239641D+00 -0.971903D-01  0.200696D+01 -0.491584D+00  0.179931D+00
      2   0.425361D+00  0.136253D+01 -0.733844D-01  0.509790D+00  0.145985D+01
      3  -0.371177D+01 -0.135128D+02 -0.140238D+01  0.388916D+01  0.346460D+00
                 6             7             8             9            10 
      1  -0.341337D+01  0.491429D+01  0.668042D+00 -0.517433D+00 -0.796525D+00
      2  -0.556997D+01 -0.844653D+01 -0.964997D+01 -0.215565D+01 -0.362092D+00
      3  -0.104154D+01  0.558844D-02 -0.142754D+01  0.537172D+01  0.279338D+00
                11            12            13            14            15 
      1   0.102968D+00 -0.297159D+01  0.405559D+00 -0.160248D+00 -0.181824D+01
      2   0.128774D+00 -0.130780D+01  0.111896D+01 -0.445361D+00 -0.128577D+01
      3   0.779535D+00  0.365957D+00  0.739317D+00  0.579154D+01 -0.984578D-01
                16            17            18            19            20 
      1  -0.688475D+01  0.320788D+01  0.780286D-02  0.324681D+00 -0.157801D-01
      2  -0.129368D+02 -0.182198D+00 -0.408360D+00  0.569700D+00 -0.348559D+00
      3  -0.111655D+01  0.104997D+00  0.591939D+01 -0.324376D+01  0.665289D+01
                21            22            23            24            25 
      1  -0.124385D+00  0.617819D+00 -0.111348D+01  0.151932D+01  0.106066D+01
      2  -0.282147D+01 -0.671820D+00 -0.751914D+00  0.141440D+01 -0.155494D+02
      3   0.352691D+00  0.153888D+02 -0.754073D+00  0.108527D+01 -0.192890D+00
                26            27            28            29            30 
      1   0.101792D+02  0.111062D+01 -0.100298D+00 -0.170216D+00  0.218905D+01
      2   0.140823D-01 -0.489144D+00 -0.904178D+00  0.293853D+00 -0.955305D+00
      3   0.828653D+00 -0.186824D+01  0.671408D+01 -0.479043D+01 -0.541947D+00
                31            32            33            34            35 
      1  -0.886260D+00  0.173044D+00 -0.258706D+01  0.412452D+01  0.455077D+00
      2   0.140830D+01  0.653701D+00  0.148221D+01 -0.136178D+02  0.205958D+01
      3   0.450352D+01 -0.605985D+01 -0.296585D+00 -0.912331D+00 -0.308162D+00
                36            37            38            39            40 
      1  -0.374115D+00 -0.453500D-01  0.928200D-01 -0.270043D+01  0.795276D+00
      2   0.104258D+01  0.173363D+00  0.885533D+00  0.212455D+01 -0.267755D+00
      3  -0.529054D+01 -0.411386D+01 -0.945621D+01 -0.882651D+00  0.696918D+01
                41            42            43            44            45 
      1  -0.733008D-01 -0.179737D+01 -0.678713D+01  0.409777D+01  0.268142D+00
      2  -0.166946D+01  0.655024D+01 -0.321556D+01  0.102964D+02  0.230297D+01
      3  -0.123902D+01  0.106805D+01  0.524604D+00  0.144036D+01 -0.485144D+01
                46            47            48            49            50 
      1   0.740984D-01  0.729910D-02  0.102572D+01 -0.193834D+00 -0.170287D+01
      2  -0.340779D+00 -0.222294D+00  0.799309D+01 -0.231100D+01  0.174281D+00
      3   0.293097D+01 -0.668492D+01  0.191009D+00  0.122358D+02  0.236424D+01
                51            52            53            54            55 
      1   0.263610D+01  0.220219D+01  0.112186D+02  0.153950D+01 -0.696972D-01
      2  -0.178194D+01  0.801232D+01 -0.241096D+01 -0.712002D+00  0.735229D+00
      3  -0.204488D+00  0.208231D+01 -0.301297D+00  0.128861D+01  0.472011D+01
                56            57            58            59            60 
      1  -0.114942D+01  0.111845D+01  0.402202D+00 -0.692878D+00 -0.523324D+01
      2   0.201592D+01 -0.420083D+01  0.109407D+01  0.599302D+01 -0.610038D+01
      3   0.246429D+01 -0.245326D+01  0.872013D+01 -0.132538D+02 -0.801941D+01
                61            62            63            64            65 
      1  -0.149299D+01 -0.139789D+01  0.101191D+01 -0.160604D+01  0.362539D+01
      2  -0.126931D+02  0.649121D+00 -0.236588D+01  0.162790D+02 -0.916053D+00
      3  -0.403816D-01 -0.560982D+01  0.395286D+01  0.310439D+01 -0.753068D+01
                66            67            68            69            70 
      1  -0.207799D+01  0.496894D+00 -0.938141D+01 -0.831816D+01  0.147087D+00
      2   0.962582D+01  0.427904D+00 -0.564707D+01  0.773166D+00  0.197481D+01
      3   0.996002D+00 -0.425684D+00  0.109425D+02  0.564495D+01 -0.921589D+00
                71            72            73            74            75 
      1   0.997943D+00  0.238722D+01 -0.298591D+01 -0.182607D+01 -0.148295D+01
      2  -0.228580D+01  0.666956D+01 -0.103482D+02  0.487693D+00  0.150994D+02
      3   0.642686D+01  0.125334D+01 -0.114457D+02 -0.580309D+01  0.328040D+01
                76            77            78            79            80 
      1  -0.967984D-01  0.832561D+01 -0.116093D+01 -0.321179D+00  0.359996D+01
      2   0.695265D+00 -0.304265D+01  0.644473D+01  0.601948D+01  0.306501D+01
      3  -0.479320D+00  0.165592D+02  0.455316D+01  0.382290D+01  0.394765D+01
                81            82            83            84            85 
      1  -0.892594D+01  0.215045D+01 -0.296495D+01  0.807518D+00 -0.853324D+00
      2   0.194996D+02  0.253845D+01 -0.130613D+01 -0.125309D+01 -0.303684D+01
      3  -0.412279D+01 -0.318700D+01  0.402419D+01  0.696682D-01  0.363748D+01
                86            87            88            89            90 
      1   0.104736D+02  0.257144D+01  0.520517D+00  0.607198D+01  0.138555D+01
      2   0.644009D+01  0.527917D+01 -0.609983D+00  0.170389D+01  0.396683D+01
      3  -0.102557D+02 -0.641232D+01 -0.104005D+01 -0.658789D+01 -0.236681D+01
                91            92            93            94            95 
      1   0.495010D+00 -0.242344D+00  0.776018D+00  0.385395D-01  0.152184D+01
      2  -0.101632D+01  0.188498D+00  0.232641D+01 -0.480725D+00 -0.286297D+01
      3   0.342925D+01 -0.293690D+01 -0.105903D+00  0.303435D+01  0.138028D+02
                96            97            98            99           100 
      1  -0.264209D+01  0.868445D+00  0.169445D+01 -0.562885D+00 -0.147318D+01
      2  -0.315126D+01 -0.373488D+00 -0.198188D+01 -0.115443D+01  0.281139D+00
      3   0.305094D+01  0.531386D+00  0.291522D+01  0.168264D+01 -0.350872D+01
               101           102           103           104           105 
      1   0.363582D+00  0.611569D+00  0.340209D+00 -0.103014D+02 -0.347756D+01
      2   0.672165D+00 -0.778642D+00  0.117716D+01  0.263002D+00  0.346061D+01
      3   0.924169D+00  0.372833D+00  0.394045D+01 -0.189293D+02 -0.583891D+00
               106           107           108           109           110 
      1   0.240543D+00 -0.177299D+00 -0.987086D+00  0.938942D+00  0.181407D+01
      2  -0.126685D+01  0.131231D+01 -0.764460D+00 -0.425929D+01 -0.441096D+00
      3   0.121795D+01 -0.301810D+01 -0.212878D+01  0.933521D+00  0.978768D+00
               111           112           113           114           115 
      1   0.144817D+01  0.981058D+00  0.448327D+00  0.112256D+01  0.829959D+00
      2  -0.794958D+01 -0.131572D+01 -0.214590D+01 -0.422324D+01 -0.696622D+01
      3  -0.535567D+00  0.157760D+01  0.195196D+00  0.179877D+01 -0.595928D+00
               116           117           118           119           120 
      1   0.469827D+01  0.474632D+01  0.149158D+01 -0.221020D+01 -0.305921D+00
      2  -0.133359D+01 -0.242978D+02  0.994322D+01 -0.125109D+01  0.539251D+01
      3   0.224133D+01  0.241181D+00  0.681151D+01 -0.722147D+01 -0.483687D+00
               121           122           123           124           125 
      1  -0.146885D+01  0.124426D+00 -0.759315D+00 -0.152886D+00  0.399940D+00
      2  -0.140267D+01  0.899907D+00 -0.226903D+01  0.390721D+00 -0.583688D+00
      3  -0.277318D+01  0.110428D+00  0.756349D-01 -0.107036D+01 -0.809612D-01
               126           127           128           129           130 
      1   0.552742D+00  0.292531D-01 -0.162308D+00  0.157108D+01  0.624620D-01
      2  -0.140247D+01  0.686163D+00 -0.418704D+00  0.222739D+00 -0.588283D+00
      3   0.105282D+01 -0.626852D+01  0.368465D+01  0.399783D+00  0.744187D+01
               131           132           133           134           135 
      1   0.360949D+00 -0.443737D+01 -0.449601D+00  0.208575D+01 -0.757836D-01
      2   0.999306D+00 -0.388110D+00 -0.148848D+01  0.164817D+00 -0.964594D-01
      3  -0.912088D+01 -0.968544D+00  0.610099D+00 -0.665799D+00  0.215340D-01
               136           137           138           139           140 
      1   0.715840D-01  0.298572D+00 -0.241753D+01 -0.757439D-01  0.244187D+00
      2   0.301522D-01  0.921226D-01  0.314510D+01  0.400521D+00  0.757408D+00
      3  -0.153004D+01 -0.514692D+01 -0.122572D+00 -0.341504D+01 -0.111236D+02
               141           142           143           144           145 
      1  -0.340764D+01  0.913092D+00  0.157953D+01 -0.217906D+00 -0.316785D-01
      2   0.355260D+01 -0.103552D+01 -0.641200D+00  0.230728D+00 -0.278314D+00
      3  -0.718297D+00 -0.374262D+00 -0.111644D+01 -0.171070D-02  0.840801D+00
               146           147           148           149           150 
      1  -0.875293D-01  0.741994D+00  0.398035D-01 -0.313760D-01 -0.454803D+00
      2  -0.746323D-01  0.653508D+01  0.718877D+00 -0.121246D+00 -0.928332D+00
      3  -0.566817D+01  0.961875D-01 -0.376143D+01  0.170362D+01  0.110353D+00
               151           152           153           154           155 
      1  -0.440010D+00  0.586652D+00  0.131725D-01 -0.415396D-01 -0.912194D-01
      2  -0.289987D+01  0.211803D+00 -0.114616D+00 -0.118516D+00  0.149800D+00
      3  -0.849745D+00  0.251463D+00 -0.977361D-01  0.728283D+00 -0.279573D+01
               156           157           158           159           160 
      1   0.165945D+01  0.125217D+00  0.192673D+00 -0.465680D+01 -0.636253D+00
      2   0.153080D+01  0.227359D+00 -0.120459D+01 -0.304669D+01 -0.660952D+00
      3  -0.139239D+00 -0.110495D+01  0.141761D+02  0.116142D+01 -0.100146D+00
               161           162           163           164           165 
      1   0.190293D+01 -0.306559D+00  0.423077D+00  0.456302D+00 -0.259350D+01
      2   0.417939D+00 -0.261164D+00 -0.113813D+01 -0.305150D+00  0.771480D+00
      3   0.149369D+01  0.192126D+00  0.105984D+02  0.338689D+01 -0.114659D+00
               166           167           168           169           170 
      1   0.894521D-01  0.693737D-01 -0.334491D+01  0.154472D+00  0.204927D+01
      2  -0.588661D+00 -0.582329D+00  0.151236D+01 -0.173146D+01 -0.171302D+00
      3   0.794699D+01  0.518782D+01  0.546097D+00 -0.276019D+00  0.509300D+00
               171           172           173           174           175 
      1  -0.144761D-01  0.911902D+00  0.225622D+01  0.718335D+00  0.521733D-01
      2   0.129240D+00 -0.132763D+02  0.115245D+00  0.457833D+01  0.288528D+01
      3   0.611517D-02 -0.452071D+01 -0.599144D+01 -0.452333D+00 -0.166063D+00
               176           177           178           179           180 
      1   0.234516D+00 -0.345785D+00  0.162844D+01  0.725319D+00  0.688682D-01
      2   0.832927D+00 -0.172477D+01 -0.804413D+00 -0.109249D+01  0.761637D+00
      3  -0.548288D-02 -0.113180D+01 -0.130459D+01 -0.104351D+01 -0.254280D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.104405D+02  0.211388D+02  0.207310D+01 -0.203253D+02  0.115545D+02
      2  -0.102547D+02 -0.135130D+02 -0.351280D+00  0.192049D+02 -0.180885D+02
      3  -0.185776D+00 -0.762583D+01 -0.172182D+01  0.112049D+01  0.653400D+01
      4   0.174647D+02 -0.570047D+01 -0.656452D+00  0.120747D+02  0.471951D+01
      5   0.126898D+01 -0.250930D+00 -0.201814D+01 -0.321432D+00  0.335537D+01
      6  -0.159822D+01 -0.349116D+00 -0.428796D+01  0.257622D+01 -0.536276D+01
                 6             7             8             9            10 
      1   0.178508D+01 -0.212633D+01  0.138829D+01 -0.636768D+01 -0.809046D+00
      2  -0.334135D+01  0.331486D+01 -0.499198D+01 -0.233346D+01 -0.391479D+00
      3   0.155627D+01 -0.118854D+01  0.360369D+01  0.870114D+01  0.120053D+01
      4   0.336221D+01 -0.247947D+00  0.401656D+01 -0.161910D+02 -0.128514D+02
      5  -0.120400D+02  0.135642D+02 -0.163351D+02 -0.433617D+01 -0.409101D+00
      6   0.785089D+01 -0.708540D+01  0.173211D+02  0.173742D+01  0.248280D+00
                11            12            13            14            15 
      1  -0.177549D+02 -0.206536D+01  0.595375D+01  0.345703D+01  0.184371D+01
      2   0.127313D+02 -0.466270D+00 -0.155485D+02 -0.697428D+01 -0.150556D+01
      3   0.502364D+01  0.253163D+01  0.959478D+01  0.351725D+01 -0.338149D+00
      4  -0.111795D+02 -0.835845D+00  0.500486D+01 -0.138331D+02 -0.120270D+01
      5  -0.107223D+01 -0.215613D+01  0.713661D+00 -0.113046D+01  0.781221D+00
      6  -0.636746D-02  0.710780D+01 -0.373507D+01 -0.245941D+01  0.418480D+01
                16            17            18            19            20 
      1   0.600009D+00  0.184295D+01 -0.148748D+02 -0.196178D+02  0.374903D+01
      2  -0.327855D+01 -0.315106D+01  0.209091D+01  0.516140D+01 -0.363840D+01
      3   0.267854D+01  0.130811D+01  0.127839D+02  0.144564D+02 -0.110635D+00
      4   0.106545D+01 -0.115227D+01 -0.252099D+01  0.129225D+01  0.884813D+00
      5   0.592855D+00 -0.133344D+01 -0.217619D+00  0.148253D+01  0.232782D+00
      6   0.665678D+01  0.110532D+02  0.497786D+00 -0.159278D+01 -0.579461D+00
                21            22            23            24            25 
      1   0.157761D+01  0.132856D+01 -0.851555D+01 -0.643231D+00  0.761412D-02
      2  -0.799787D-01  0.357854D+01  0.163301D+02  0.344539D+01  0.170437D+01
      3  -0.149763D+01 -0.490710D+01 -0.781453D+01 -0.280216D+01 -0.171199D+01
      4   0.359468D+00 -0.101041D+02  0.573795D+00 -0.998446D+00 -0.220288D+01
      5  -0.316783D+00 -0.319922D+01 -0.809549D+00  0.261592D+01  0.929258D+01
      6  -0.182165D+01  0.120756D+01  0.223185D+01 -0.352216D+01 -0.156883D+01
                26            27            28            29            30 
      1  -0.110089D+01 -0.540205D+01  0.132810D+02  0.109809D+02  0.818612D+00
      2   0.216943D+01 -0.517100D+01 -0.101678D+02 -0.720348D+01  0.467296D+00
      3  -0.106854D+01  0.105730D+02 -0.311314D+01 -0.377744D+01 -0.128591D+01
      4  -0.874441D+00  0.725344D+00  0.528762D+01 -0.175718D+02 -0.187856D+01
      5   0.562197D+00  0.626640D+00 -0.242980D+00 -0.182001D+01 -0.342817D+01
      6   0.462919D+01 -0.149446D+01 -0.535959D+00 -0.194602D-01 -0.480523D+01
                31            32            33            34            35 
      1  -0.140774D+01  0.903871D+01  0.192381D+01 -0.209367D+00  0.156920D+01
      2   0.975375D+01 -0.157448D+02 -0.305778D+01  0.181465D+01 -0.489297D+01
      3  -0.834601D+01  0.670611D+01  0.113398D+01 -0.160528D+01  0.332377D+01
      4   0.900377D+01  0.149873D+02  0.971030D+00 -0.294714D+00  0.815938D+00
      5   0.852794D+00  0.121076D+01  0.779815D+00  0.491562D+01  0.560978D+01
      6   0.230880D+01 -0.393830D+01  0.633328D+01 -0.254449D+01  0.163428D+02
                36            37            38            39            40 
      1  -0.155283D+02 -0.142924D+01 -0.240503D+02 -0.311215D+01  0.272065D+02
      2   0.335065D+01 -0.743805D+00  0.155098D+02  0.268772D+00 -0.275352D+02
      3   0.121777D+02  0.217304D+01  0.854053D+01  0.284338D+01  0.328735D+00
      4   0.667100D+01 -0.149703D+02  0.329950D+01  0.218936D+00  0.388411D+00
      5   0.114938D+01 -0.856526D+00  0.971751D-01  0.453519D+01 -0.241486D+01
      6   0.226286D+01 -0.218145D+00  0.100378D+01  0.653389D+01 -0.366643D+01
                41            42            43            44            45 
      1   0.513769D+01  0.416621D+00  0.252118D+01  0.683271D+00  0.159297D+01
      2  -0.929215D+01 -0.981826D+00 -0.445647D+01 -0.323360D+01 -0.813440D+01
      3   0.415446D+01  0.565205D+00  0.193528D+01  0.255033D+01  0.654143D+01
      4  -0.115466D+02 -0.432077D+01 -0.175178D+01 -0.450334D+01  0.162800D+02
      5  -0.422009D+01  0.137920D+02  0.203841D+02  0.161883D+02  0.504109D+01
      6  -0.354453D+01  0.426256D+01  0.808242D+01  0.131598D+02  0.496069D+00
                46            47            48            49            50 
      1  -0.124357D+02  0.531268D+01  0.784406D+00 -0.904286D+01 -0.222523D+02
      2   0.792355D+01 -0.357715D+01 -0.145264D+00  0.939710D+01  0.205589D+02
      3   0.451213D+01 -0.173554D+01 -0.639142D+00 -0.354244D+00  0.169345D+01
      4   0.261870D+01  0.220483D+02  0.276100D+00 -0.223992D+02  0.342893D+01
      5   0.105529D+01  0.230617D+00  0.182893D+02 -0.573917D+01  0.824201D+00
      6   0.525021D+00  0.307829D+00 -0.254444D+01  0.131180D+01  0.257766D+01
                51            52            53            54            55 
      1  -0.388922D+01 -0.327754D+00 -0.392828D+01  0.150529D+02  0.127308D+02
      2   0.515543D+01  0.121941D+01  0.310570D+01 -0.184777D+02 -0.457876D+01
      3  -0.126621D+01 -0.891658D+00  0.822580D+00  0.342478D+01 -0.815202D+01
      4   0.134207D+01 -0.631500D+01  0.132434D+01 -0.406247D+01 -0.501293D+01
      5  -0.327753D+01  0.370320D+02 -0.379385D+01 -0.140428D+01 -0.893695D+00
      6  -0.559345D+01 -0.275228D+01  0.540520D+01 -0.228885D+01  0.270512D+01
                56            57            58            59            60 
      1  -0.348252D+01  0.326095D+01 -0.825917D+01  0.271445D+01  0.756666D+01
      2   0.264234D+01  0.112292D+01  0.114125D+02 -0.119959D+02 -0.808688D+01
      3   0.840184D+00 -0.438387D+01 -0.315332D+01  0.928143D+01  0.520219D+00
      4  -0.950034D+01  0.667484D+01 -0.543127D+01  0.272322D+02  0.140790D+02
      5   0.593415D+01 -0.203829D+02  0.861929D+01  0.135222D+02 -0.143210D+02
      6   0.156402D-01  0.217861D+00  0.484226D+01 -0.670457D+01  0.128898D+01
                61            62            63            64            65 
      1   0.190909D+01  0.181549D+01 -0.734909D+01 -0.431390D+02  0.213902D+01
      2   0.299128D+01 -0.395304D+01  0.106281D+02  0.200666D+02 -0.886670D-01
      3  -0.490037D+01  0.213755D+01 -0.327905D+01  0.230724D+02 -0.205035D+01
      4   0.684646D+01  0.103699D+02 -0.408999D+01  0.371925D+01  0.123063D+02
      5  -0.371848D+02 -0.506763D+01  0.472717D+01 -0.176718D+02 -0.483290D+01
      6  -0.346759D+01 -0.107562D+02  0.577280D+01 -0.204459D+01  0.590752D+01
                66            67            68            69            70 
      1  -0.670124D+01 -0.373201D+00  0.623904D+01  0.383387D+00 -0.365813D+01
      2   0.500630D+00  0.144156D+01  0.379935D+01 -0.117116D+01 -0.653194D+01
      3   0.620061D+01 -0.106836D+01 -0.100384D+02  0.787771D+00  0.101901D+02
      4  -0.534191D+01  0.106337D+02 -0.183562D+02 -0.530143D+01 -0.642608D+01
      5   0.120041D+02 -0.654430D+01 -0.252767D+01 -0.268689D+01  0.238408D+02
      6  -0.262761D+01  0.322347D+01 -0.149742D+02 -0.144361D+01 -0.117140D+01
                71            72            73            74            75 
      1  -0.163941D+00 -0.850865D+01 -0.530773D+02  0.806239D+01  0.125571D+02
      2   0.160211D+01 -0.171585D+02  0.296334D+02 -0.260610D+01  0.220967D+01
      3  -0.143817D+01  0.256672D+02  0.234439D+02 -0.545629D+01 -0.147668D+02
      4  -0.970256D+01 -0.467199D+01  0.954043D+01  0.835310D+01 -0.395625D+01
      5  -0.441734D+01  0.191543D+02  0.160459D+02 -0.666522D+01  0.202743D+02
      6   0.387164D+01 -0.498964D+01 -0.657304D+01 -0.336958D+01  0.235095D+01
                76            77            78            79            80 
      1   0.145124D+02  0.714928D+01  0.675966D+00  0.173395D+01  0.172411D+01
      2  -0.102428D+02 -0.149744D+02  0.535876D+01  0.534020D+01 -0.195733D+00
      3  -0.426964D+01  0.782509D+01 -0.603472D+01 -0.707415D+01 -0.152838D+01
      4   0.578213D+01 -0.240691D+02 -0.906070D+01 -0.773181D+01 -0.815843D+01
      5  -0.113140D+02 -0.109815D+02  0.159343D+02  0.213767D+02  0.920550D+01
      6  -0.361772D+01  0.764614D+01  0.515172D+01  0.374340D+01  0.595951D+01
                81            82            83            84            85 
      1   0.251254D+02 -0.123163D+01  0.226365D+01  0.303685D+01  0.835784D+01
      2  -0.114576D+00  0.162249D+01 -0.140648D+01 -0.323880D+00 -0.528425D+01
      3  -0.250108D+02 -0.390856D+00 -0.857172D+00 -0.271297D+01 -0.307360D+01
      4   0.118294D+02  0.137291D+01 -0.510280D+01 -0.175118D+00  0.220673D+01
      5   0.521815D+01 -0.183816D+00  0.833572D+00 -0.231233D+01  0.569127D+01
      6  -0.102878D+02  0.185171D+01 -0.369932D+01 -0.130394D+00  0.939351D-01
                86            87            88            89            90 
      1  -0.958561D+01 -0.483045D+01  0.301696D+01 -0.194491D+01 -0.457612D+01
      2   0.509185D+01 -0.346357D+00 -0.177132D+01 -0.265472D+00 -0.149934D+01
      3   0.449376D+01  0.517680D+01 -0.124564D+01  0.221038D+01  0.607546D+01
      4   0.182678D+02  0.108027D+02  0.166343D+01  0.122916D+02  0.348865D+01
      5   0.852170D+01  0.922314D+01  0.424298D+01  0.358265D+01  0.806819D+01
      6   0.147622D+02  0.114116D+02  0.424404D+00  0.110714D+02  0.326458D+01
                91            92            93            94            95 
      1   0.281099D+01 -0.316002D+01 -0.873650D+00 -0.303861D+01 -0.111780D+02
      2   0.263009D+01 -0.281056D+00  0.175723D+00 -0.233520D+01  0.254067D+02
      3  -0.544108D+01  0.344107D+01  0.697927D+00  0.537381D+01 -0.142288D+02
      4  -0.713049D+01  0.113357D+02  0.145939D+01  0.125518D+02 -0.303838D+02
      5  -0.189805D+01  0.131299D+01  0.606494D+01  0.130346D+01 -0.566768D+01
      6   0.183904D+01 -0.122312D+01 -0.279571D-01 -0.139151D+01  0.798292D+01
                96            97            98            99           100 
      1  -0.242175D+01 -0.522276D+00 -0.204903D+01 -0.273370D+01  0.457353D+01
      2   0.464012D+01 -0.810709D-01  0.285956D+01  0.215152D+01 -0.114644D+00
      3  -0.221837D+01  0.603347D+00 -0.810531D+00  0.582178D+00 -0.445889D+01
      4  -0.629937D+01  0.152983D+01 -0.568989D+01 -0.482179D+01  0.230756D+01
      5  -0.671245D+01  0.596700D+01 -0.416647D+01 -0.358205D+01 -0.928563D+00
      6   0.597714D+01 -0.915917D+00  0.868094D+01  0.296165D+01 -0.116965D+00
               101           102           103           104           105 
      1   0.324340D+01 -0.221508D+01  0.712317D+01 -0.109102D+02  0.148902D+01
      2  -0.177050D+01 -0.127342D+00 -0.289017D+01  0.237534D+02  0.188205D+01
      3  -0.147290D+01  0.234242D+01 -0.423300D+01 -0.128432D+02 -0.337107D+01
      4   0.225876D+01  0.737895D+00  0.858976D+01  0.331219D+02 -0.950231D+00
      5  -0.199459D+00 -0.172769D+01 -0.476419D+01 -0.916028D-02  0.762016D+01
      6   0.395310D+00 -0.113062D+01 -0.174988D+01 -0.141536D+02  0.518179D+01
               106           107           108           109           110 
      1   0.219639D+01  0.119268D+01 -0.439573D+01 -0.176119D+01 -0.164334D+01
      2  -0.136551D+01  0.200936D+01  0.183001D+01 -0.251551D+01  0.254106D+00
      3  -0.830880D+00 -0.320204D+01  0.256572D+01  0.427670D+01  0.138924D+01
      4   0.282771D+01  0.502417D+01  0.237489D+01 -0.169848D+01 -0.184966D+01
      5  -0.717101D+00  0.281737D+01  0.585766D-01 -0.538320D+00  0.911179D+00
      6  -0.701601D-02  0.361166D+01  0.607384D+00  0.838624D+00  0.266171D+01
               111           112           113           114           115 
      1  -0.120645D+02 -0.331530D+01 -0.507466D+01 -0.369431D+01 -0.976543D+01
      2  -0.236271D+01  0.201878D+01  0.140255D+01 -0.230302D+01  0.313659D+01
      3   0.144272D+02  0.129652D+01  0.367211D+01  0.599734D+01  0.662883D+01
      4  -0.608129D+00  0.596916D+00 -0.513795D+00 -0.353131D+01 -0.183386D+01
      5  -0.434171D+01  0.267708D+01 -0.241214D+01 -0.649522D+01  0.651365D+01
      6   0.270579D+00  0.817312D+00  0.149357D+01  0.775066D+01 -0.220192D+00
               116           117           118           119           120 
      1  -0.124111D+01 -0.301094D+02  0.809245D+02 -0.577241D+01 -0.835527D+01
      2  -0.147034D+01 -0.168702D+02 -0.452274D+02  0.341832D+01  0.819667D+01
      3   0.271145D+01  0.469796D+02 -0.356971D+02  0.235410D+01  0.158599D+00
      4  -0.495776D+01 -0.316374D+01 -0.149550D+01  0.109600D+02 -0.677862D-01
      5  -0.107136D+01 -0.336774D+02 -0.315675D+02  0.150803D+01  0.158718D+02
      6   0.685213D+01 -0.260207D+00  0.215301D+01 -0.370121D+01  0.402229D+00
               121           122           123           124           125 
      1  -0.131289D+02  0.622799D+01  0.630357D+00  0.497584D+00  0.235274D+00
      2   0.718196D+01 -0.107476D+01 -0.201667D+01  0.238395D+01 -0.493696D+00
      3   0.594691D+01 -0.515323D+01  0.138631D+01 -0.288153D+01  0.258422D+00
      4   0.105597D+02 -0.168066D+01 -0.101506D+01  0.991291D+00  0.553369D+00
      5   0.607168D+01 -0.225984D+01 -0.539875D+01  0.109688D+02 -0.158368D+01
      6  -0.319929D+01  0.655953D+00  0.127505D+01  0.207724D+00  0.798652D+00
               126           127           128           129           130 
      1   0.391162D+01 -0.522809D+01  0.904532D+01  0.931861D+00  0.765069D+01
      2  -0.532388D+01  0.695466D+01 -0.114335D+02 -0.724748D+00 -0.953615D+01
      3   0.141227D+01 -0.172657D+01  0.238814D+01 -0.207113D+00  0.188546D+01
      4  -0.157554D+01 -0.379301D+01  0.712638D+01  0.595093D+00  0.555095D+01
      5  -0.548599D+01 -0.334786D+00  0.623827D+00  0.123376D+01  0.527767D+00
      6   0.498438D+00  0.947207D+00 -0.125332D+01 -0.196612D+01 -0.119422D+01
               131           132           133           134           135 
      1  -0.344924D+02 -0.306540D+01  0.759763D+00 -0.284201D+01 -0.158486D+01
      2   0.472111D+02  0.287055D+01 -0.108399D+01  0.371430D+01  0.226170D+01
      3  -0.127187D+02  0.194853D+00  0.324224D+00 -0.872298D+00 -0.676843D+00
      4   0.146320D+01  0.269483D+00  0.491493D+00  0.136714D+00 -0.118140D+01
      5   0.295174D+00 -0.479736D-01  0.691747D+00 -0.527964D+00 -0.268447D+00
      6   0.516304D+01  0.722836D+01 -0.284775D+00  0.250104D+01  0.927830D+00
               136           137           138           139           140 
      1   0.228857D+02  0.137978D+02  0.125923D+01  0.985683D+01  0.351606D+01
      2  -0.447012D+01  0.112384D+01 -0.521402D+00  0.609793D+01  0.169447D+02
      3  -0.184156D+02 -0.149216D+02 -0.737829D+00 -0.159548D+02 -0.204608D+02
      4   0.335719D+02  0.306830D+02  0.220308D+01  0.342275D+02  0.442487D+02
      5   0.344669D+01  0.248191D+01  0.626436D+01  0.340078D+01  0.390790D+01
      6   0.144469D+01  0.127333D+01  0.324945D+01  0.217420D+01  0.305313D+01
               141           142           143           144           145 
      1   0.331054D+00  0.869384D+00  0.165886D+00 -0.822402D-02  0.979601D+02
      2   0.389953D+00  0.451663D+00  0.134465D+01  0.851763D+00 -0.550315D+02
      3  -0.721007D+00 -0.132105D+01 -0.151054D+01 -0.843539D+00 -0.429286D+02
      4   0.346929D+01  0.319268D+01  0.383115D+01  0.209782D+01 -0.160753D+02
      5   0.556019D+01  0.177725D+01  0.159360D+01  0.775289D+00 -0.184369D+01
      6   0.586906D+01  0.125358D+01  0.196118D+01  0.886674D+00 -0.110797D+01
               146           147           148           149           150 
      1  -0.979708D+01 -0.158259D+01 -0.923194D+01  0.984980D+01  0.802359D+00
      2   0.473789D+01  0.103573D+01  0.392095D+01 -0.437141D+01 -0.693216D+00
      3   0.505919D+01  0.546858D+00  0.531098D+01 -0.547839D+01 -0.109143D+00
      4   0.108471D+02  0.934015D-01  0.165154D+02 -0.530114D+01 -0.469221D+00
      5   0.100407D-01  0.107120D+02  0.156522D+01 -0.394904D+00 -0.134992D+01
      6   0.326056D-01 -0.988455D+00 -0.160740D+00 -0.955113D-01  0.173407D+01
               151           152           153           154           155 
      1  -0.148822D+01  0.850013D+00  0.250944D+01  0.524538D+01 -0.414308D+01
      2   0.771377D+00 -0.468549D+00 -0.148733D+01  0.377760D+01 -0.598840D+01
      3   0.716840D+00 -0.381464D+00 -0.102211D+01 -0.902298D+01  0.101315D+02
      4   0.163134D+01 -0.584580D+00 -0.472947D+00 -0.181621D+02  0.233070D+02
      5   0.174998D+01 -0.281684D+00 -0.372992D+00 -0.177849D+01  0.193925D+01
      6  -0.111261D+00  0.687200D+00  0.186251D+00  0.134172D+01 -0.146965D+01
               156           157           158           159           160 
      1  -0.478905D+00  0.584619D+00 -0.171385D+02 -0.165623D+01  0.137400D-01
      2  -0.188734D+00 -0.118898D+02  0.409452D+02  0.265559D+01 -0.967713D+00
      3   0.667640D+00  0.113052D+02 -0.238068D+02 -0.999356D+00  0.953973D+00
      4   0.210885D+01  0.247458D+02 -0.481123D+02 -0.445555D+01  0.241979D+01
      5   0.385941D+01  0.230492D+01 -0.411830D+01 -0.509438D+01  0.131476D+01
      6  -0.232929D+01 -0.230519D+01  0.568327D+01  0.776017D+01 -0.123554D+01
               161           162           163           164           165 
      1  -0.161565D+01 -0.122369D+01 -0.404500D+01 -0.694790D+01 -0.859116D+00
      2   0.358073D+01  0.204716D+01  0.557136D+01  0.972777D+01  0.689241D+00
      3  -0.196508D+01 -0.823468D+00 -0.152636D+01 -0.277987D+01  0.169875D+00
      4  -0.481848D+01 -0.188835D+01  0.868211D+01  0.807500D+01  0.431180D+00
      5  -0.114393D+01 -0.767040D+00 -0.942961D-01  0.360080D+00  0.220519D+01
      6   0.255108D+01  0.130990D+01  0.566574D+00  0.111290D+01  0.228845D+01
               166           167           168           169           170 
      1  -0.801830D+01 -0.203922D+02 -0.209159D+01 -0.749328D+00 -0.166436D+01
      2   0.108509D+02  0.274435D+02  0.159868D+01  0.122694D+01  0.218217D+01
      3  -0.283262D+01 -0.705135D+01  0.492912D+00 -0.477612D+00 -0.517805D+00
      4   0.855468D+01  0.840420D+01  0.475309D+00  0.672385D+00  0.698988D+00
      5   0.488528D+00  0.485486D+00  0.174174D+01  0.941261D+00  0.539621D+00
      6   0.128913D+01  0.273751D+01  0.513467D+01  0.353545D+00  0.168409D+01
               171           172           173           174           175 
      1  -0.404586D+00  0.729823D+02 -0.180877D+01  0.109933D+02 -0.701936D+01
      2   0.102357D+01 -0.403758D+02  0.775013D+00 -0.886763D+01  0.157587D+01
      3  -0.618986D+00 -0.326065D+02  0.103375D+01 -0.212568D+01  0.544349D+01
      4   0.187270D+01 -0.378851D+01  0.870718D+01  0.578684D+00  0.674338D+01
      5   0.139902D+00  0.351811D+02  0.582027D+00  0.153794D+02  0.806841D-01
      6   0.566888D+00 -0.673334D+00  0.295998D+01  0.238527D+00  0.414217D+00
               176           177           178           179           180 
      1   0.179651D+01  0.296625D+01  0.522859D+01  0.360509D+01  0.153452D+01
      2  -0.654641D+00 -0.153686D+01 -0.431131D+01 -0.929487D+00 -0.300510D+01
      3  -0.114187D+01 -0.142939D+01 -0.917279D+00 -0.267561D+01  0.147058D+01
      4  -0.177136D+01  0.207259D+01  0.347221D+01  0.137895D+01 -0.699667D+00
      5   0.240853D+01 -0.624277D+00  0.853116D+01  0.502955D+00  0.439221D+01
      6  -0.537522D+00  0.217449D+01  0.152233D+01  0.190177D+01 -0.438674D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:47:42 2021, MaxMem=  5637144576 cpu:           11010.0 elap:            1379.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.12259 -10.06698 -10.04520 -10.03948 -10.03842
 Alpha  occ. eigenvalues --  -10.03835 -10.03751 -10.03614 -10.02441  -0.98304
 Alpha  occ. eigenvalues --   -0.94501  -0.85643  -0.83998  -0.81204  -0.72826
 Alpha  occ. eigenvalues --   -0.70086  -0.66746  -0.61887  -0.58251  -0.55117
 Alpha  occ. eigenvalues --   -0.54286  -0.53201  -0.51302  -0.50279  -0.49972
 Alpha  occ. eigenvalues --   -0.47371  -0.46604  -0.44354  -0.41958  -0.41525
 Alpha  occ. eigenvalues --   -0.34693  -0.33993  -0.32966
 Alpha virt. eigenvalues --    0.02941   0.03542   0.03848   0.04835   0.04968
 Alpha virt. eigenvalues --    0.05168   0.05255   0.05449   0.06664   0.07217
 Alpha virt. eigenvalues --    0.07717   0.08081   0.09998   0.10896   0.11639
 Alpha virt. eigenvalues --    0.12526   0.12857   0.13092   0.13741   0.14193
 Alpha virt. eigenvalues --    0.14599   0.14756   0.14931   0.15292   0.15690
 Alpha virt. eigenvalues --    0.16706   0.16808   0.17142   0.17403   0.17824
 Alpha virt. eigenvalues --    0.18243   0.18450   0.19471   0.19821   0.20536
 Alpha virt. eigenvalues --    0.21330   0.21793   0.22763   0.23708   0.24539
 Alpha virt. eigenvalues --    0.24638   0.25113   0.25784   0.26672   0.27224
 Alpha virt. eigenvalues --    0.27909   0.28293   0.28944   0.29664   0.30076
 Alpha virt. eigenvalues --    0.30752   0.31391   0.31930   0.32083   0.32480
 Alpha virt. eigenvalues --    0.32919   0.33694   0.34053   0.34618   0.35631
 Alpha virt. eigenvalues --    0.36343   0.37339   0.37936   0.38289   0.39342
 Alpha virt. eigenvalues --    0.39788   0.39989   0.40705   0.41745   0.42190
 Alpha virt. eigenvalues --    0.42850   0.43428   0.44977   0.45595   0.45927
 Alpha virt. eigenvalues --    0.46798   0.48277   0.48477   0.49349   0.50081
 Alpha virt. eigenvalues --    0.50891   0.51398   0.52017   0.52822   0.53297
 Alpha virt. eigenvalues --    0.53767   0.54736   0.55137   0.56220   0.56765
 Alpha virt. eigenvalues --    0.57550   0.57833   0.59267   0.59890   0.60733
 Alpha virt. eigenvalues --    0.61525   0.62381   0.62827   0.63021   0.64151
 Alpha virt. eigenvalues --    0.64316   0.65107   0.65810   0.66399   0.66861
 Alpha virt. eigenvalues --    0.67193   0.67412   0.67859   0.68575   0.70478
 Alpha virt. eigenvalues --    0.71410   0.71723   0.71998   0.72789   0.73031
 Alpha virt. eigenvalues --    0.73670   0.73935   0.74170   0.75500   0.75763
 Alpha virt. eigenvalues --    0.77400   0.78255   0.79314   0.80827   0.81641
 Alpha virt. eigenvalues --    0.82355   0.82796   0.82967   0.84093   0.84788
 Alpha virt. eigenvalues --    0.85443   0.85723   0.86994   0.87202   0.88424
 Alpha virt. eigenvalues --    0.88529   0.90109   0.91156   0.92282   0.93116
 Alpha virt. eigenvalues --    0.94743   0.96045   0.98150   0.99217   1.00774
 Alpha virt. eigenvalues --    1.01456   1.02222   1.04375   1.05714   1.06392
 Alpha virt. eigenvalues --    1.07447   1.08426   1.11370   1.12915   1.13426
 Alpha virt. eigenvalues --    1.14743   1.15873   1.18364   1.19689   1.21565
 Alpha virt. eigenvalues --    1.25833   1.28347   1.33779   1.34608   1.37494
 Alpha virt. eigenvalues --    1.38892   1.39502   1.41634   1.41802   1.43960
 Alpha virt. eigenvalues --    1.44071   1.44798   1.46278   1.48180   1.49639
 Alpha virt. eigenvalues --    1.50136   1.51639   1.52271   1.54423   1.55503
 Alpha virt. eigenvalues --    1.57083   1.58706   1.59444   1.60873   1.61900
 Alpha virt. eigenvalues --    1.62721   1.64210   1.65365   1.67225   1.67940
 Alpha virt. eigenvalues --    1.71180   1.72337   1.72707   1.75428   1.75564
 Alpha virt. eigenvalues --    1.77205   1.77732   1.78681   1.79360   1.80754
 Alpha virt. eigenvalues --    1.81441   1.83148   1.84159   1.85391   1.87367
 Alpha virt. eigenvalues --    1.89469   1.91291   1.92335   1.92952   1.94229
 Alpha virt. eigenvalues --    1.95558   1.96475   1.96722   1.99686   2.00066
 Alpha virt. eigenvalues --    2.04728   2.05122   2.06128   2.06698   2.08324
 Alpha virt. eigenvalues --    2.09521   2.11255   2.13147   2.13476   2.16475
 Alpha virt. eigenvalues --    2.17961   2.19449   2.19847   2.20202   2.22510
 Alpha virt. eigenvalues --    2.23130   2.23588   2.25964   2.28442   2.31642
 Alpha virt. eigenvalues --    2.32919   2.35590   2.36976   2.38592   2.43061
 Alpha virt. eigenvalues --    2.43576   2.46252   2.48200   2.51022   2.55160
 Alpha virt. eigenvalues --    2.56604   2.57974   2.60424   2.61353   2.63038
 Alpha virt. eigenvalues --    2.65234   2.69267   2.72209   2.73837   2.77170
 Alpha virt. eigenvalues --    2.79870   2.82185   2.83194   2.87203   2.89396
 Alpha virt. eigenvalues --    2.94136   2.99494   3.03980   3.06350   3.12294
 Alpha virt. eigenvalues --    3.15435   3.17568   3.31954   3.43286   3.51429
 Alpha virt. eigenvalues --    3.60346   3.74323   4.63188
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   13.939851  -5.797680   3.911154  -5.373516   4.616044  -4.888008
     2  C   -5.797680  20.672774  -8.309471   1.790022  -4.664560   3.978233
     3  C    3.911154  -8.309471  20.406660  -9.860913   3.450423  -4.954441
     4  C   -5.373516   1.790022  -9.860913  23.316207  -5.693418   4.745736
     5  C    4.616044  -4.664560   3.450423  -5.693418  13.498397  -4.938565
     6  C   -4.888008   3.978233  -4.954441   4.745736  -4.938565  12.075219
     7  C   -0.471185  -0.574528  -2.136755  -1.366260  -0.143829   0.164374
     8  N    0.048478  -0.024564   0.038718  -0.121101   0.007294  -0.021116
     9  C    0.272260  -0.609150   0.476472  -0.506322   0.165263  -0.152081
    10  H    0.016916   0.073660  -0.033160   0.022661  -0.011183   0.008578
    11  H   -0.053979   0.051719   0.361024   0.144673  -0.083141   0.042039
    12  H    0.000359  -0.162009   0.023578   0.029057   0.021107  -0.020442
    13  H   -0.021209   0.017551  -0.257022   0.065882  -0.001551   0.006207
    14  H    0.021878  -0.023690   0.359374  -0.097282   0.007243  -0.005936
    15  H    0.201393  -0.197162   1.036194  -2.369670   0.538873  -0.292927
    16  H   -0.368129   0.213262  -0.351794   0.904948  -1.480848   0.620749
    17  H    0.683148  -0.198457   0.176297  -0.280606   0.649919  -1.414283
    18  H   -1.578969   1.082286  -0.428955   0.255171  -0.403521   0.628292
    19  H    0.739164  -2.250514   0.259200  -0.307983   0.165873  -0.193885
    20  H    0.000711  -0.042941   0.177323  -0.003739   0.003807  -0.001187
               7          8          9         10         11         12
     1  C   -0.471185   0.048478   0.272260   0.016916  -0.053979   0.000359
     2  C   -0.574528  -0.024564  -0.609150   0.073660   0.051719  -0.162009
     3  C   -2.136755   0.038718   0.476472  -0.033160   0.361024   0.023578
     4  C   -1.366260  -0.121101  -0.506322   0.022661   0.144673   0.029057
     5  C   -0.143829   0.007294   0.165263  -0.011183  -0.083141   0.021107
     6  C    0.164374  -0.021116  -0.152081   0.008578   0.042039  -0.020442
     7  C   12.217904  -0.140934  -0.061000  -0.326831  -1.463805  -0.208055
     8  N   -0.140934   6.582682  -0.025670   0.368493   0.019371   0.030592
     9  C   -0.061000  -0.025670   4.633256   0.034639   0.182705   0.476386
    10  H   -0.326831   0.368493   0.034639   0.902793   0.060786   0.038421
    11  H   -1.463805   0.019371   0.182705   0.060786   2.422960   0.096487
    12  H   -0.208055   0.030592   0.476386   0.038421   0.096487   1.518112
    13  H    0.149128  -0.012834   0.153318   0.003031  -0.064822  -0.123882
    14  H   -0.088008  -0.026449   0.138620  -0.011939  -0.007140  -0.429357
    15  H    0.194584   0.033500   0.041324   0.011029  -0.141202   0.005196
    16  H    0.022652   0.000162   0.004303  -0.000787  -0.001215  -0.000369
    17  H   -0.015575  -0.000577  -0.000557   0.000901   0.001652  -0.000040
    18  H    0.021374  -0.000034  -0.002390  -0.001677   0.001758   0.003590
    19  H    0.349933  -0.059337   0.031283  -0.054076  -0.009622  -0.109994
    20  H   -0.133967   0.305127  -0.062927  -0.092077  -0.012720  -0.007094
              13         14         15         16         17         18
     1  C   -0.021209   0.021878   0.201393  -0.368129   0.683148  -1.578969
     2  C    0.017551  -0.023690  -0.197162   0.213262  -0.198457   1.082286
     3  C   -0.257022   0.359374   1.036194  -0.351794   0.176297  -0.428955
     4  C    0.065882  -0.097282  -2.369670   0.904948  -0.280606   0.255171
     5  C   -0.001551   0.007243   0.538873  -1.480848   0.649919  -0.403521
     6  C    0.006207  -0.005936  -0.292927   0.620749  -1.414283   0.628292
     7  C    0.149128  -0.088008   0.194584   0.022652  -0.015575   0.021374
     8  N   -0.012834  -0.026449   0.033500   0.000162  -0.000577  -0.000034
     9  C    0.153318   0.138620   0.041324   0.004303  -0.000557  -0.002390
    10  H    0.003031  -0.011939   0.011029  -0.000787   0.000901  -0.001677
    11  H   -0.064822  -0.007140  -0.141202  -0.001215   0.001652   0.001758
    12  H   -0.123882  -0.429357   0.005196  -0.000369  -0.000040   0.003590
    13  H    1.593296  -0.314807   0.014359  -0.001388   0.000150  -0.001515
    14  H   -0.314807   1.701556  -0.005048   0.000943   0.000037   0.000194
    15  H    0.014359  -0.005048   3.112806  -0.202230  -0.027591   0.018140
    16  H   -0.001388   0.000943  -0.202230   2.444459  -0.137802  -0.029994
    17  H    0.000150   0.000037  -0.027591  -0.137802   2.385278  -0.142368
    18  H   -0.001515   0.000194   0.018140  -0.029994  -0.142368   2.512746
    19  H   -0.019494   0.017685  -0.054056   0.017613  -0.026050  -0.256475
    20  H    0.004045  -0.011581  -0.001613   0.000268  -0.000184   0.000035
              19         20
     1  C    0.739164   0.000711
     2  C   -2.250514  -0.042941
     3  C    0.259200   0.177323
     4  C   -0.307983  -0.003739
     5  C    0.165873   0.003807
     6  C   -0.193885  -0.001187
     7  C    0.349933  -0.133967
     8  N   -0.059337   0.305127
     9  C    0.031283  -0.062927
    10  H   -0.054076  -0.092077
    11  H   -0.009622  -0.012720
    12  H   -0.109994  -0.007094
    13  H   -0.019494   0.004045
    14  H    0.017685  -0.011581
    15  H   -0.054056  -0.001613
    16  H    0.017613   0.000268
    17  H   -0.026050  -0.000184
    18  H   -0.256475   0.000035
    19  H    3.792786   0.005576
    20  H    0.005576   0.947888
 Mulliken charges:
               1
     1  C    0.101318
     2  C    0.975219
     3  C    1.656094
     4  C    0.706450
     5  C    0.296374
     6  C    0.613444
     7  C    0.010782
     8  N   -0.001800
     9  C    0.810267
    10  H   -0.010180
    11  H   -0.547529
    12  H   -0.181644
    13  H   -0.188443
    14  H   -0.226293
    15  H   -0.915899
    16  H   -0.654803
    17  H   -0.653293
    18  H   -0.677689
    19  H   -1.037626
    20  H   -0.074750
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.576371
     2  C   -0.062406
     3  C    1.656094
     4  C   -0.209448
     5  C   -0.358429
     6  C   -0.039849
     7  C   -0.536747
     8  N   -0.086730
     9  C    0.213886
 Electronic spatial extent (au):  <R**2>=           1290.3937
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6297    Y=              0.7802    Z=             -0.8450  Tot=              1.3112
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.9703   YY=            -51.4741   ZZ=            -61.0532
   XY=              1.2120   XZ=             -0.7932   YZ=              3.3730
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              5.5289   YY=              2.0251   ZZ=             -7.5540
   XY=              1.2120   XZ=             -0.7932   YZ=              3.3730
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              8.9787  YYY=              0.2602  ZZZ=             -3.1951  XYY=             -2.9720
  XXY=             -0.1299  XXZ=              3.6454  XZZ=              4.9166  YZZ=              4.7162
  YYZ=              0.4291  XYZ=              3.7084
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1097.5577 YYYY=           -326.4322 ZZZZ=           -232.5852 XXXY=             -7.9041
 XXXZ=             23.6676 YYYX=              0.4321 YYYZ=              8.1631 ZZZX=             -1.3205
 ZZZY=             11.4188 XXYY=           -251.8515 XXZZ=           -257.1855 YYZZ=           -104.4020
 XXYZ=             11.0927 YYXZ=              0.6254 ZZXY=              8.6441
 N-N= 4.252473536436D+02 E-N=-1.698902592248D+03  KE= 3.633455522152D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:47:43 2021, MaxMem=  5637144576 cpu:               1.9 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.45672457D-01 3.06186424D-01-2.90782300D-01
 Polarizability= 1.26026985D+02 2.33992042D-01 1.00324600D+02
                -4.75344164D-01 3.14264573D+00 7.08488249D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.3803    0.3806        0.4394    0.4397
 2     -0.3803   -0.3806       -1.1084   -1.1084      -13.2557  -13.2541
 3     -0.4394   -0.4397       27.8938   27.8928        1.1097    1.1084
 4      1.1084    1.1084       -0.0000    0.0000       -0.4381   -0.4397
 5    -14.6381  -14.6387        0.4381    0.4397        0.3807    0.3806
 6     -1.1097   -1.1084       -0.3807   -0.3806       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.1417   -1.1417        1.3192    1.3192
 2      3.3253    3.3253        0.0000    0.0000        1.3192    1.3192
 3      3.3253    3.3253       -1.1417   -1.1417       -0.0000    0.0000
 4     -1.1417   -1.1417       -3.3253   -3.3253      -39.7622  -39.7622
 5     -1.3192   -1.3192       83.6783   83.6783        3.3253    3.3253
 6    -43.9161  -43.9161        1.3192    1.3192        1.1417    1.1417
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0110    0.0000       -1.5534   -1.5223       -1.6932   -1.7589
 2      1.5217    1.5223        4.4447    4.4338       53.0326   53.0162
 3      1.7431    1.7589     -111.5915 -111.5710       -4.4213   -4.4338
 4     -4.4411   -4.4338        0.0041    0.0000        1.7466    1.7589
 5     58.5523   58.5548       -1.7640   -1.7589       -1.5214   -1.5223
 6      4.4111    4.4338        1.5427    1.5223       -0.0004    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0131    0.0000       -6.1471   -6.1726       -0.4770   -0.5033
 2      6.1900    6.1726       54.3976   54.4408       19.4847   19.4972
 3      0.4781    0.5033       11.7991   11.7154      -54.4900  -54.4408
 4    -54.4567  -54.4408       -0.0025    0.0000        0.4403    0.5033
 5    -31.2018  -31.2126       -0.4961   -0.5033       -6.2164   -6.1726
 6     54.4569   54.4408        6.1386    6.1726        0.0846    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -36.8129  -36.8430       -8.0767   -8.0530       -3.7630   -3.7870
 2   -125.3444 -125.3329       -8.6054   -8.6231       -3.7805   -3.7870
 3   -125.3396 -125.3329       -8.0513   -8.0530       -1.5312   -1.5336
 4      0.5823    0.5701       88.4662   88.4899       27.2246   27.2732
 5      2.2664    2.2533       22.1809   22.2214      -88.5102  -88.4899
 6    -49.4902  -49.4946       -2.2536   -2.2533       -0.8181   -0.5701
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.6227   -0.0005   -0.0004    0.0002    0.7916    7.0459
 Low frequencies ---   27.7893  128.7779  196.2761
 Diagonal vibrational polarizability:
       23.8111759      14.5190299      34.1253698
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     27.7771               128.7775               196.2758
 Red. masses --      3.3013                 3.4381                 1.2637
 Frc consts  --      0.0015                 0.0336                 0.0287
 IR Inten    --      0.7435                 0.9047                30.2202
 RamAct Fr= 1--      4.0101                 4.5655                 0.5408
  Dep-P Fr= 1--      0.7494                 0.7500                 0.5048
  Dep-U Fr= 1--      0.8568                 0.8571                 0.6709
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0026
 Beta2  Fr= 1--      0.5726                 0.6522                 0.0605
 AlphaG Fr= 1--      0.0001                -0.0000                 0.0141
 Gamma2 Fr= 1--      0.6938                 0.0975                 0.3832
 Delta2 Fr= 1--      0.4634                 0.0219                 0.2179
 Raman1 Fr= 1--      16.040                 18.262                  2.163
 ROA1   Fr= 1--      81.431                 10.058                 43.758
 CID1   Fr= 1--       5.077                  0.551                 20.227
 Raman2 Fr= 1--       6.871                  7.826                  0.726
 ROA2   Fr= 1--      12.943                  2.164                  7.454
 CID2   Fr= 1--       1.884                  0.276                 10.271
 Raman3 Fr= 1--      13.743                 15.653                  1.451
 ROA3   Fr= 1--      81.431                 10.058                 43.758
 CID3   Fr= 1--       5.925                  0.643                 30.148
 RC180  Fr= 1--       0.714                  0.714                  0.342
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.13    -0.01   0.01  -0.10     0.06   0.01  -0.01
     2   6     0.01  -0.03   0.18    -0.01  -0.00   0.10     0.05  -0.05   0.01
     3   6     0.00  -0.02   0.06    -0.00  -0.01   0.18     0.01  -0.06   0.00
     4   6    -0.01   0.00  -0.11    -0.00  -0.01   0.15    -0.02  -0.04   0.01
     5   6    -0.01   0.02  -0.17    -0.00   0.01  -0.04    -0.02   0.02   0.01
     6   6     0.00   0.01  -0.05    -0.01   0.02  -0.21     0.03   0.04  -0.01
     7   6    -0.00  -0.02   0.07    -0.00  -0.00   0.03     0.01  -0.02  -0.01
     8   7     0.05   0.22   0.01     0.21  -0.09  -0.04    -0.01   0.02  -0.01
     9   6    -0.06  -0.18  -0.10    -0.18   0.08  -0.02    -0.05   0.05   0.00
    10   1     0.07   0.27  -0.13     0.29  -0.10   0.05    -0.59  -0.23   0.23
    11   1     0.00  -0.05   0.24    -0.02   0.01  -0.06     0.06  -0.01  -0.04
    12   1    -0.11  -0.16  -0.28    -0.11   0.06   0.10    -0.15   0.03   0.00
    13   1    -0.09  -0.38  -0.04    -0.38   0.19   0.04    -0.02   0.00  -0.00
    14   1    -0.05  -0.14  -0.09    -0.19   0.05  -0.25    -0.03   0.14   0.01
    15   1    -0.02   0.01  -0.21    -0.00  -0.01   0.23    -0.05  -0.05   0.02
    16   1    -0.01   0.04  -0.30    -0.00   0.01  -0.09    -0.05   0.04   0.01
    17   1     0.00   0.02  -0.09    -0.01   0.04  -0.40     0.03   0.07  -0.02
    18   1     0.02  -0.02   0.22    -0.01   0.02  -0.20     0.10   0.02  -0.01
    19   1     0.02  -0.04   0.31    -0.01  -0.00   0.14     0.08  -0.07   0.00
    20   1     0.05   0.22  -0.02     0.20  -0.13  -0.20     0.01   0.65  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    240.4039               260.2512               322.2466
 Red. masses --      1.7537                 1.1757                 3.0821
 Frc consts  --      0.0597                 0.0469                 0.1886
 IR Inten    --     16.0102                 1.2512                 2.6252
 RamAct Fr= 1--      0.2299                 0.2035                 1.6685
  Dep-P Fr= 1--      0.3872                 0.3378                 0.3228
  Dep-U Fr= 1--      0.5583                 0.5050                 0.4881
 Alpha2 Fr= 1--      0.0018                 0.0019                 0.0160
 Beta2  Fr= 1--      0.0214                 0.0171                 0.1357
 AlphaG Fr= 1--     -0.0093                -0.0018                -0.0078
 Gamma2 Fr= 1--     -0.1966                -0.0186                -0.3573
 Delta2 Fr= 1--     -0.0413                 0.1061                -0.0012
 Raman1 Fr= 1--       0.920                  0.814                  6.674
 ROA1   Fr= 1--     -20.194                  1.610                -34.333
 CID1   Fr= 1--     -21.956                  1.978                 -5.144
 Raman2 Fr= 1--       0.257                  0.206                  1.629
 ROA2   Fr= 1--      -4.387                 -1.296                 -8.565
 CID2   Fr= 1--     -17.088                 -6.305                 -5.259
 Raman3 Fr= 1--       0.513                  0.411                  3.257
 ROA3   Fr= 1--     -20.194                  1.610                -34.333
 CID3   Fr= 1--     -39.329                  3.917                -10.540
 RC180  Fr= 1--       0.117                  0.010                 -0.024
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.00   0.01     0.04  -0.00  -0.00    -0.04  -0.02   0.01
     2   6    -0.07   0.08   0.03     0.03  -0.03  -0.02    -0.05  -0.09   0.02
     3   6    -0.00   0.10   0.02    -0.00  -0.04  -0.01    -0.04  -0.09  -0.01
     4   6     0.04   0.07   0.01    -0.01  -0.03  -0.03    -0.13  -0.04   0.02
     5   6     0.03  -0.02  -0.01    -0.01   0.00  -0.01    -0.14   0.02   0.01
     6   6    -0.04  -0.04  -0.01     0.02   0.01   0.02    -0.11   0.04  -0.02
     7   6    -0.01   0.01  -0.01    -0.00  -0.01   0.01     0.03  -0.01  -0.04
     8   7     0.06  -0.06  -0.02    -0.03   0.06   0.01     0.17   0.10  -0.10
     9   6     0.09  -0.10  -0.02    -0.02   0.02   0.02     0.20   0.04   0.11
    10   1    -0.36  -0.27   0.24     0.03   0.11  -0.08     0.18   0.13  -0.17
    11   1    -0.13  -0.00  -0.03     0.04  -0.01   0.04     0.07  -0.01  -0.02
    12   1     0.41  -0.08   0.06     0.42   0.00   0.36     0.22   0.03   0.22
    13   1    -0.05   0.06   0.01    -0.40   0.45   0.08     0.44   0.18  -0.02
    14   1     0.03  -0.40  -0.13    -0.11  -0.36  -0.36     0.20  -0.00   0.35
    15   1     0.09   0.09   0.01    -0.03  -0.04  -0.04    -0.21  -0.08   0.02
    16   1     0.08  -0.06  -0.02    -0.03   0.02  -0.00    -0.16   0.04   0.01
    17   1    -0.05  -0.10  -0.03     0.02   0.03   0.05    -0.10   0.09  -0.05
    18   1    -0.15  -0.02   0.01     0.05   0.00   0.00     0.03   0.01   0.01
    19   1    -0.11   0.11   0.03     0.05  -0.05  -0.04    -0.03  -0.10   0.03
    20   1     0.08   0.42  -0.15    -0.03  -0.00   0.04     0.17   0.18  -0.28
                      7                      8                      9
                      A                      A                      A
 Frequencies --    331.5455               414.2349               481.9304
 Red. masses --      3.6202                 2.9440                 2.7876
 Frc consts  --      0.2345                 0.2976                 0.3815
 IR Inten    --      3.9809                 0.0017                 5.5562
 RamAct Fr= 1--      0.1547                 0.0445                 5.2531
  Dep-P Fr= 1--      0.4224                 0.3778                 0.0415
  Dep-U Fr= 1--      0.5940                 0.5484                 0.0797
 Alpha2 Fr= 1--      0.0011                 0.0004                 0.1059
 Beta2  Fr= 1--      0.0153                 0.0041                 0.0698
 AlphaG Fr= 1--      0.0026                 0.0039                 0.0372
 Gamma2 Fr= 1--     -0.0442                 0.1816                 0.1432
 Delta2 Fr= 1--     -0.0770                 0.0136                 0.1685
 Raman1 Fr= 1--       0.619                  0.178                 21.012
 ROA1   Fr= 1--      -6.708                 17.865                 19.143
 CID1   Fr= 1--     -10.837                100.443                  0.911
 Raman2 Fr= 1--       0.184                  0.049                  0.838
 ROA2   Fr= 1--      -0.446                  4.248                  2.090
 CID2   Fr= 1--      -2.424                 87.104                  2.496
 Raman3 Fr= 1--       0.368                  0.098                  1.675
 ROA3   Fr= 1--      -6.708                 17.865                 19.143
 CID3   Fr= 1--     -18.245                183.140                 11.428
 RC180  Fr= 1--       0.188                  0.097                 -0.841
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.08    -0.00   0.02  -0.21     0.04   0.03   0.00
     2   6    -0.03   0.02  -0.19     0.00  -0.02   0.21     0.04   0.09   0.00
     3   6    -0.00   0.00   0.01     0.00   0.00   0.00    -0.05   0.06   0.00
     4   6    -0.02   0.03  -0.19     0.00   0.02  -0.21     0.05   0.01   0.00
     5   6    -0.02   0.02  -0.06     0.00  -0.02   0.21     0.08  -0.05  -0.01
     6   6    -0.03  -0.01   0.19     0.00  -0.00  -0.00     0.11  -0.04  -0.00
     7   6     0.02  -0.03   0.14    -0.00  -0.00  -0.00    -0.16  -0.13  -0.03
     8   7     0.23  -0.03   0.08    -0.01   0.00  -0.00    -0.02   0.05  -0.15
     9   6    -0.12  -0.02   0.09     0.00  -0.00  -0.00    -0.09  -0.06   0.19
    10   1     0.14  -0.09   0.20     0.01   0.01  -0.01     0.03   0.14  -0.34
    11   1    -0.00  -0.03   0.14    -0.01  -0.00   0.00    -0.25  -0.15   0.01
    12   1    -0.25  -0.02   0.04     0.00  -0.00   0.01    -0.18  -0.10   0.42
    13   1    -0.16  -0.12   0.13     0.00   0.01  -0.00     0.14   0.15   0.05
    14   1    -0.09   0.12   0.02     0.00  -0.01  -0.00    -0.07   0.02   0.39
    15   1    -0.03   0.04  -0.32     0.00   0.04  -0.45     0.16   0.05   0.01
    16   1    -0.02   0.01  -0.08     0.01  -0.05   0.46     0.07  -0.04  -0.01
    17   1    -0.03  -0.04   0.45     0.00  -0.00   0.00     0.11  -0.06  -0.00
    18   1    -0.03   0.02  -0.13    -0.00   0.04  -0.44    -0.05  -0.01   0.01
    19   1    -0.04   0.04  -0.31     0.00  -0.04   0.46     0.05   0.08   0.00
    20   1     0.23   0.17  -0.17    -0.01  -0.00  -0.00    -0.01   0.14  -0.35
                     10                     11                     12
                      A                      A                      A
 Frequencies --    548.4757               594.3537               639.0507
 Red. masses --      2.9941                 3.0286                 6.3607
 Frc consts  --      0.5307                 0.6304                 1.5305
 IR Inten    --      6.2497                 4.2564                 0.0358
 RamAct Fr= 1--      0.4089                 1.8146                 4.2763
  Dep-P Fr= 1--      0.7284                 0.7432                 0.7253
  Dep-U Fr= 1--      0.8428                 0.8527                 0.8408
 Alpha2 Fr= 1--      0.0002                 0.0002                 0.0018
 Beta2  Fr= 1--      0.0574                 0.2579                 0.5992
 AlphaG Fr= 1--     -0.0002                -0.0005                 0.0009
 Gamma2 Fr= 1--     -0.2710                 0.3267                 0.0489
 Delta2 Fr= 1--     -0.0749                 0.0045                 0.0071
 Raman1 Fr= 1--       1.636                  7.258                 17.105
 ROA1   Fr= 1--     -28.417                 31.509                  4.925
 CID1   Fr= 1--     -17.372                  4.341                  0.288
 Raman2 Fr= 1--       0.689                  3.095                  7.191
 ROA2   Fr= 1--      -5.906                  7.805                  1.117
 CID2   Fr= 1--      -8.567                  2.522                  0.155
 Raman3 Fr= 1--       1.379                  6.189                 14.382
 ROA3   Fr= 1--     -28.417                 31.509                  4.925
 CID3   Fr= 1--     -20.611                  5.091                  0.342
 RC180  Fr= 1--       0.686                  0.705                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.12     0.06   0.07   0.05    -0.22   0.27   0.03
     2   6     0.01  -0.01   0.05     0.01   0.02  -0.03    -0.27  -0.17  -0.01
     3   6    -0.05  -0.04   0.26    -0.15  -0.01  -0.07    -0.01  -0.14  -0.01
     4   6    -0.01  -0.06   0.05    -0.03  -0.15  -0.05     0.21  -0.22  -0.02
     5   6     0.00  -0.01  -0.13    -0.01  -0.09   0.04     0.29   0.21   0.02
     6   6     0.06  -0.02   0.18     0.15   0.01  -0.07     0.01   0.14   0.01
     7   6    -0.06   0.08  -0.04    -0.16   0.21   0.06     0.01  -0.03  -0.01
     8   7    -0.07  -0.00  -0.06     0.07  -0.02   0.04    -0.01  -0.01  -0.02
     9   6     0.06   0.03  -0.05     0.00   0.01  -0.00    -0.01  -0.03   0.02
    10   1    -0.05  -0.02   0.01     0.19  -0.10   0.36    -0.02   0.01  -0.07
    11   1    -0.06   0.09  -0.11    -0.13   0.23   0.00     0.04  -0.03  -0.00
    12   1     0.20   0.06  -0.16     0.27   0.09  -0.31    -0.03  -0.04   0.07
    13   1     0.20  -0.01  -0.10     0.07  -0.18   0.01    -0.01   0.01   0.02
    14   1     0.03  -0.13   0.13    -0.06  -0.29   0.15    -0.01  -0.01   0.02
    15   1     0.01  -0.02  -0.25     0.05  -0.13   0.05     0.05  -0.28  -0.04
    16   1    -0.04   0.05  -0.47    -0.15   0.01   0.19     0.17   0.30   0.02
    17   1     0.06  -0.01   0.19     0.15   0.02  -0.05    -0.06  -0.29  -0.03
    18   1     0.01   0.06  -0.47    -0.00   0.03   0.19    -0.06   0.33   0.03
    19   1     0.06  -0.02  -0.26     0.16  -0.11   0.06    -0.15  -0.26  -0.03
    20   1    -0.07  -0.09   0.02     0.06  -0.05  -0.26    -0.01   0.00  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.0918               766.1778               781.6127
 Red. masses --      1.6830                 3.4287                 2.0695
 Frc consts  --      0.5028                 1.1859                 0.7449
 IR Inten    --     40.7430                11.9375                42.2097
 RamAct Fr= 1--      0.0226                13.3653                 2.1668
  Dep-P Fr= 1--      0.6572                 0.0199                 0.1868
  Dep-U Fr= 1--      0.7932                 0.0389                 0.3148
 Alpha2 Fr= 1--      0.0000                 0.2835                 0.0305
 Beta2  Fr= 1--      0.0030                 0.0867                 0.1137
 AlphaG Fr= 1--     -0.0001                 0.0306                -0.0128
 Gamma2 Fr= 1--     -0.0180                -0.7243                -0.3351
 Delta2 Fr= 1--      0.0034                -0.3499                -0.1933
 Raman1 Fr= 1--       0.090                 53.461                  8.667
 ROA1   Fr= 1--      -1.617                -80.733                -38.351
 CID1   Fr= 1--     -17.875                 -1.510                 -4.425
 Raman2 Fr= 1--       0.036                  1.041                  1.364
 ROA2   Fr= 1--      -0.459                -14.585                 -6.495
 CID2   Fr= 1--     -12.788                -14.015                 -4.761
 Raman3 Fr= 1--       0.072                  2.081                  2.729
 ROA3   Fr= 1--      -1.617                -80.733                -38.351
 CID3   Fr= 1--     -22.536                -38.791                -14.056
 RC180  Fr= 1--       0.586                 -0.922                 -0.370
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.14    -0.07   0.18   0.02    -0.01   0.03   0.02
     2   6    -0.00  -0.00   0.06    -0.04   0.16   0.05    -0.01   0.04  -0.09
     3   6    -0.01   0.01  -0.09    -0.10   0.02  -0.06    -0.02  -0.02   0.22
     4   6    -0.00  -0.01   0.07    -0.07  -0.12   0.02    -0.01  -0.01  -0.08
     5   6    -0.00   0.01  -0.14    -0.08  -0.14  -0.02    -0.01  -0.03   0.01
     6   6     0.01  -0.01   0.07     0.15  -0.03   0.04     0.03   0.01  -0.13
     7   6    -0.00   0.00   0.00     0.11  -0.15  -0.02     0.03  -0.05  -0.00
     8   7     0.00  -0.00   0.01     0.04  -0.00   0.11    -0.02   0.01  -0.03
     9   6     0.00   0.00  -0.00     0.08   0.02  -0.09     0.03   0.02  -0.05
    10   1     0.02   0.00   0.01    -0.02   0.10  -0.19    -0.09  -0.01  -0.05
    11   1     0.00   0.00   0.01     0.09  -0.17   0.07     0.01  -0.05  -0.01
    12   1    -0.01  -0.00   0.00    -0.19  -0.04   0.15    -0.00   0.00   0.04
    13   1    -0.01   0.00   0.00    -0.03   0.18  -0.08     0.08   0.09  -0.08
    14   1     0.00   0.00  -0.02     0.14   0.33  -0.29     0.04   0.06  -0.01
    15   1     0.00  -0.05   0.51     0.04  -0.07  -0.04     0.00  -0.01  -0.01
    16   1    -0.01  -0.02   0.21    -0.26   0.01  -0.20    -0.04  -0.05   0.51
    17   1     0.01  -0.06   0.56     0.14  -0.03  -0.21     0.03  -0.07   0.55
    18   1    -0.00  -0.02   0.23    -0.30   0.11  -0.18    -0.06  -0.03   0.51
    19   1     0.01  -0.05   0.51     0.03   0.12  -0.02     0.01   0.03  -0.00
    20   1     0.01   0.01  -0.03     0.06   0.13   0.17    -0.02  -0.04   0.17
                     16                     17                     18
                      A                      A                      A
 Frequencies --    840.7909               852.8598               912.8879
 Red. masses --      1.5944                 1.2498                 1.6280
 Frc consts  --      0.6641                 0.5356                 0.7993
 IR Inten    --    133.9720                 0.1428                10.2342
 RamAct Fr= 1--      1.7553                 1.3274                 3.8199
  Dep-P Fr= 1--      0.2610                 0.6891                 0.5961
  Dep-U Fr= 1--      0.4139                 0.8159                 0.7470
 Alpha2 Fr= 1--      0.0202                 0.0014                 0.0109
 Beta2  Fr= 1--      0.1211                 0.1805                 0.4756
 AlphaG Fr= 1--      0.0164                -0.0002                 0.0290
 Gamma2 Fr= 1--     -0.6695                 0.0936                 2.6538
 Delta2 Fr= 1--     -0.5663                -0.0298                 1.4238
 Raman1 Fr= 1--       7.021                  5.310                 15.280
 ROA1   Fr= 1--     -82.393                  8.029                300.328
 CID1   Fr= 1--     -11.735                  1.512                 19.656
 Raman2 Fr= 1--       1.453                  2.166                  5.707
 ROA2   Fr= 1--     -11.538                  2.483                 52.301
 CID2   Fr= 1--      -7.940                  1.146                  9.165
 Raman3 Fr= 1--       2.906                  4.332                 11.413
 ROA3   Fr= 1--     -82.393                  8.029                300.328
 CID3   Fr= 1--     -28.351                  1.853                 26.314
 RC180  Fr= 1--      -0.172                  0.632                  0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03  -0.00     0.00   0.01  -0.07    -0.02   0.04  -0.00
     2   6     0.00  -0.02  -0.00    -0.00   0.01  -0.08    -0.00   0.02   0.04
     3   6    -0.00  -0.00   0.03     0.00   0.00   0.00     0.03  -0.00  -0.01
     4   6     0.01   0.02  -0.00     0.00  -0.01   0.08    -0.01  -0.03   0.03
     5   6     0.03   0.03   0.00     0.00  -0.01   0.07    -0.04  -0.04  -0.00
     6   6    -0.02   0.00  -0.02     0.00  -0.00   0.00     0.01   0.00  -0.04
     7   6    -0.07  -0.02  -0.03    -0.00   0.00  -0.00     0.11   0.06  -0.00
     8   7    -0.03  -0.07   0.16    -0.00  -0.00   0.00    -0.04  -0.04  -0.07
     9   6     0.02   0.05  -0.06     0.00  -0.00  -0.00    -0.00  -0.01   0.14
    10   1     0.21   0.28  -0.54     0.01   0.00   0.00    -0.00   0.08  -0.34
    11   1    -0.06  -0.01  -0.07    -0.01  -0.00   0.01     0.20   0.11  -0.21
    12   1     0.07   0.06  -0.13    -0.01  -0.00   0.01     0.03   0.06  -0.27
    13   1     0.06   0.03  -0.07     0.00   0.01  -0.00    -0.33  -0.42   0.37
    14   1     0.02  -0.01  -0.03     0.00  -0.00  -0.01    -0.03  -0.11  -0.17
    15   1     0.01   0.02  -0.02    -0.00   0.05  -0.51    -0.01  -0.01  -0.20
    16   1     0.06  -0.00   0.05    -0.00   0.05  -0.47    -0.08  -0.01  -0.00
    17   1    -0.02  -0.01   0.07    -0.00   0.00  -0.02     0.01  -0.01   0.23
    18   1     0.05  -0.02   0.03     0.01  -0.05   0.47    -0.06   0.02   0.04
    19   1    -0.01  -0.01  -0.05     0.00  -0.05   0.52    -0.01   0.06  -0.19
    20   1     0.03   0.45  -0.51    -0.00   0.01  -0.01    -0.02   0.13  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    927.6566               956.8059               974.8972
 Red. masses --      1.4871                 1.3573                 1.2407
 Frc consts  --      0.7540                 0.7321                 0.6948
 IR Inten    --      0.8654                 0.0303                 0.2278
 RamAct Fr= 1--      1.1944                 0.1199                 0.0506
  Dep-P Fr= 1--      0.7179                 0.2194                 0.6603
  Dep-U Fr= 1--      0.8358                 0.3599                 0.7954
 Alpha2 Fr= 1--      0.0007                 0.0015                 0.0001
 Beta2  Fr= 1--      0.1664                 0.0072                 0.0067
 AlphaG Fr= 1--     -0.0009                -0.0115                 0.0025
 Gamma2 Fr= 1--     -0.4422                -0.3167                 0.0910
 Delta2 Fr= 1--      0.1823                 0.0951                 0.0148
 Raman1 Fr= 1--       4.778                  0.479                  0.202
 ROA1   Fr= 1--     -36.619                -27.359                  9.214
 CID1   Fr= 1--      -7.665                -57.062                 45.558
 Raman2 Fr= 1--       1.997                  0.086                  0.080
 ROA2   Fr= 1--     -12.071                 -8.361                  2.066
 CID2   Fr= 1--      -6.046                -96.903                 25.687
 Raman3 Fr= 1--       3.993                  0.173                  0.161
 ROA3   Fr= 1--     -36.619                -27.359                  9.214
 CID3   Fr= 1--      -9.170               -158.551                 57.279
 RC180  Fr= 1--       0.672                 -0.280                  0.591
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.00   0.01  -0.10    -0.00   0.01  -0.07
     2   6     0.00  -0.02   0.10     0.00  -0.01   0.09     0.00  -0.00   0.03
     3   6    -0.01   0.01  -0.09    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.10     0.00   0.01  -0.08    -0.00  -0.00   0.04
     5   6     0.01   0.01  -0.00     0.00  -0.01   0.09     0.00   0.01  -0.08
     6   6    -0.00   0.01  -0.09    -0.00  -0.00   0.01     0.00  -0.01   0.08
     7   6    -0.04  -0.00  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.01
     8   7     0.03   0.02   0.04     0.00   0.00   0.00     0.00   0.00   0.01
     9   6    -0.01  -0.02  -0.03    -0.00   0.00  -0.00    -0.01  -0.00   0.00
    10   1     0.02  -0.04   0.19    -0.01  -0.00  -0.00    -0.00   0.00   0.01
    11   1    -0.06  -0.03   0.08     0.00  -0.00  -0.01     0.00   0.00  -0.00
    12   1    -0.04  -0.05   0.13     0.01   0.00  -0.00     0.01  -0.00   0.01
    13   1     0.08   0.13  -0.10     0.02   0.00  -0.01     0.01   0.00  -0.01
    14   1     0.00   0.05   0.05    -0.01  -0.01   0.02    -0.01  -0.01   0.02
    15   1    -0.00   0.05  -0.51     0.01  -0.04   0.44    -0.01   0.03  -0.33
    16   1     0.02   0.01  -0.03    -0.00   0.05  -0.46     0.01  -0.06   0.55
    17   1     0.00  -0.06   0.57    -0.00   0.01  -0.05    -0.00   0.05  -0.52
    18   1     0.02  -0.01  -0.02     0.00  -0.06   0.56     0.00  -0.05   0.46
    19   1    -0.00   0.03  -0.50    -0.00   0.05  -0.49    -0.00   0.02  -0.26
    20   1     0.02  -0.07   0.05     0.00  -0.00   0.02     0.00  -0.00   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1012.0277              1026.6513              1055.0167
 Red. masses --      1.6157                 5.6616                 2.2517
 Frc consts  --      0.9750                 3.5159                 1.4766
 IR Inten    --      5.4792                 0.4029                 4.3229
 RamAct Fr= 1--     13.2435                40.6716                22.3467
  Dep-P Fr= 1--      0.1382                 0.0481                 0.0466
  Dep-U Fr= 1--      0.2429                 0.0917                 0.0890
 Alpha2 Fr= 1--      0.2109                 0.8071                 0.4451
 Beta2  Fr= 1--      0.5361                 0.6219                 0.3314
 AlphaG Fr= 1--     -0.0591                 0.0518                 0.0267
 Gamma2 Fr= 1--      1.7858                -0.5653                -0.0256
 Delta2 Fr= 1--      1.1048                -0.1961                -0.1533
 Raman1 Fr= 1--      52.974                162.686                 89.387
 ROA1   Fr= 1--     206.789                -60.547                 -7.366
 CID1   Fr= 1--       3.904                 -0.372                 -0.082
 Raman2 Fr= 1--       6.434                  7.463                  3.976
 ROA2   Fr= 1--      34.021                -11.998                  0.612
 CID2   Fr= 1--       5.288                 -1.608                  0.154
 Raman3 Fr= 1--      12.867                 14.925                  7.952
 ROA3   Fr= 1--     206.789                -60.547                 -7.366
 CID3   Fr= 1--      16.071                 -4.057                 -0.926
 RC180  Fr= 1--      -0.514                 -0.817                 -0.822
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.04   0.01    -0.02   0.06   0.01    -0.00   0.19   0.02
     2   6     0.03   0.05  -0.00    -0.22  -0.30  -0.03     0.04  -0.08  -0.01
     3   6     0.03  -0.02  -0.01     0.02   0.00  -0.00     0.04  -0.00   0.00
     4   6     0.01  -0.02  -0.00    -0.13   0.35   0.03     0.06   0.06   0.01
     5   6    -0.01  -0.02  -0.00    -0.03  -0.05  -0.00    -0.06  -0.19  -0.02
     6   6    -0.04  -0.01  -0.00     0.35  -0.05  -0.01    -0.14   0.02   0.00
     7   6     0.04  -0.02  -0.12     0.03   0.00  -0.05    -0.01   0.01   0.02
     8   7     0.05   0.01   0.08     0.03   0.00   0.03    -0.02  -0.00  -0.01
     9   6    -0.14   0.01   0.02    -0.04  -0.00   0.02     0.00  -0.01  -0.01
    10   1    -0.07   0.05  -0.12    -0.05   0.02  -0.08     0.04  -0.00   0.04
    11   1     0.23   0.05  -0.29     0.00   0.02  -0.14    -0.03  -0.00   0.08
    12   1     0.27   0.05  -0.07     0.08   0.01  -0.02    -0.02  -0.02   0.05
    13   1     0.26  -0.02  -0.14     0.05  -0.04  -0.01     0.02   0.06  -0.04
    14   1    -0.22  -0.42   0.48    -0.07  -0.14   0.14     0.01   0.04   0.01
    15   1    -0.00  -0.03   0.01    -0.10   0.38   0.06     0.38   0.18   0.01
    16   1     0.00  -0.03  -0.02     0.00  -0.05  -0.03     0.23  -0.43  -0.04
    17   1    -0.05  -0.04   0.01     0.37  -0.07  -0.00    -0.15   0.03   0.01
    18   1    -0.06   0.03  -0.04    -0.01   0.05   0.00     0.36   0.34   0.03
    19   1     0.03   0.05   0.07    -0.17  -0.35  -0.02     0.30  -0.28  -0.04
    20   1     0.06   0.03   0.37     0.03   0.02   0.21    -0.02   0.00  -0.12
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1074.1089              1112.8397              1121.8320
 Red. masses --      2.4664                 1.7742                 1.6419
 Frc consts  --      1.6765                 1.2945                 1.2174
 IR Inten    --     16.8555                 9.1036                 8.2962
 RamAct Fr= 1--      5.4031                 2.4193                 2.0201
  Dep-P Fr= 1--      0.5204                 0.3667                 0.5988
  Dep-U Fr= 1--      0.6846                 0.5366                 0.7491
 Alpha2 Fr= 1--      0.0242                 0.0201                 0.0057
 Beta2  Fr= 1--      0.6165                 0.2164                 0.2522
 AlphaG Fr= 1--      0.0906                 0.0589                 0.0108
 Gamma2 Fr= 1--      0.0208                 0.6285                 0.6568
 Delta2 Fr= 1--     -1.9748                 0.2233                 0.3302
 Raman1 Fr= 1--      21.612                  9.677                  8.081
 ROA1   Fr= 1--     -61.195                 67.480                 73.617
 CID1   Fr= 1--      -2.831                  6.973                  9.110
 Raman2 Fr= 1--       7.398                  2.596                  3.026
 ROA2   Fr= 1--      16.298                 13.297                 13.122
 CID2   Fr= 1--       2.203                  5.121                  4.336
 Raman3 Fr= 1--      14.795                  5.193                  6.053
 ROA3   Fr= 1--     -61.195                 67.480                 73.617
 CID3   Fr= 1--      -4.136                 12.996                 12.163
 RC180  Fr= 1--       0.369                  0.073                  0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05   0.01     0.03  -0.04  -0.00     0.04  -0.04  -0.00
     2   6     0.06   0.04   0.02    -0.10  -0.01   0.01    -0.03  -0.03  -0.00
     3   6    -0.01  -0.06  -0.06     0.06   0.03  -0.03    -0.12   0.04  -0.01
     4   6    -0.05   0.07   0.02     0.09  -0.05   0.01     0.02  -0.01   0.00
     5   6     0.05   0.04   0.00    -0.08  -0.05  -0.00     0.04   0.00  -0.00
     6   6    -0.00  -0.06  -0.01     0.03   0.07   0.01    -0.03   0.03   0.00
     7   6    -0.04  -0.16   0.20     0.02  -0.05   0.13    -0.07  -0.09  -0.02
     8   7    -0.01   0.01  -0.08    -0.02  -0.02  -0.05     0.08   0.03   0.02
     9   6     0.00   0.15  -0.05    -0.04   0.05  -0.05     0.05   0.07   0.04
    10   1    -0.06  -0.05   0.01    -0.05  -0.01  -0.11    -0.19   0.01  -0.17
    11   1     0.24  -0.11   0.13     0.07  -0.04   0.12    -0.33  -0.07  -0.29
    12   1     0.35   0.24  -0.41     0.18   0.08  -0.07     0.05   0.12  -0.30
    13   1     0.13  -0.12  -0.04     0.17   0.04  -0.13    -0.16  -0.21   0.18
    14   1    -0.07  -0.21   0.06    -0.07  -0.14   0.17     0.03  -0.01  -0.21
    15   1    -0.23   0.01  -0.08     0.38   0.07  -0.04     0.23   0.08  -0.01
    16   1     0.19  -0.07  -0.01    -0.29   0.11   0.01     0.09  -0.05  -0.01
    17   1    -0.05  -0.35  -0.03     0.09   0.48   0.05    -0.01   0.14   0.02
    18   1    -0.20  -0.00  -0.00     0.16   0.00  -0.00     0.23   0.03  -0.00
    19   1     0.21  -0.07  -0.06    -0.43   0.24   0.00     0.03  -0.08  -0.00
    20   1    -0.03  -0.10  -0.11    -0.02   0.00  -0.06     0.06  -0.05   0.51
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.8234              1200.1757              1207.6744
 Red. masses --      1.1254                 1.6000                 1.1343
 Frc consts  --      0.9308                 1.3579                 0.9747
 IR Inten    --      0.1025                 2.2241                 0.0477
 RamAct Fr= 1--      3.1706                 3.7056                 4.9877
  Dep-P Fr= 1--      0.7306                 0.2998                 0.6680
  Dep-U Fr= 1--      0.8444                 0.4613                 0.8010
 Alpha2 Fr= 1--      0.0011                 0.0380                 0.0073
 Beta2  Fr= 1--      0.4462                 0.2849                 0.6658
 AlphaG Fr= 1--     -0.0003                -0.0021                 0.0027
 Gamma2 Fr= 1--      0.4115                -2.1208                -0.0190
 Delta2 Fr= 1--     -0.0491                 0.2424                -0.0083
 Raman1 Fr= 1--      12.682                 14.822                 19.951
 ROA1   Fr= 1--      37.934               -195.840                 -2.087
 CID1   Fr= 1--       2.991                -13.212                 -0.105
 Raman2 Fr= 1--       5.354                  3.419                  7.990
 ROA2   Fr= 1--      10.269                -52.838                 -0.389
 CID2   Fr= 1--       1.918                -15.454                 -0.049
 Raman3 Fr= 1--      10.708                  6.838                 15.980
 ROA3   Fr= 1--      37.934               -195.840                 -2.087
 CID3   Fr= 1--       3.542                -28.640                 -0.131
 RC180  Fr= 1--       0.689                 -0.077                  0.602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02  -0.00     0.00   0.00  -0.00     0.05   0.02   0.00
     2   6     0.01  -0.01  -0.00    -0.03   0.03  -0.00    -0.05   0.04   0.00
     3   6    -0.00   0.01  -0.00     0.00  -0.06   0.03     0.01  -0.00  -0.00
     4   6    -0.01  -0.01  -0.00     0.03   0.03  -0.00    -0.05  -0.02  -0.00
     5   6     0.04  -0.03  -0.00    -0.01  -0.00  -0.00     0.04  -0.03  -0.00
     6   6     0.01   0.07   0.01     0.01   0.01   0.00     0.01  -0.00  -0.00
     7   6     0.01   0.01   0.02    -0.06  -0.10  -0.13    -0.00   0.00  -0.00
     8   7    -0.00  -0.01  -0.01    -0.02   0.07   0.05    -0.00   0.00  -0.00
     9   6    -0.01  -0.00  -0.01     0.03   0.03   0.05     0.00   0.00  -0.00
    10   1    -0.02   0.01  -0.06     0.20  -0.07   0.55    -0.00  -0.00   0.01
    11   1    -0.03   0.01   0.01     0.43  -0.07   0.03     0.01   0.00   0.01
    12   1     0.01  -0.01   0.02    -0.01   0.05  -0.15    -0.01   0.00   0.00
    13   1     0.02   0.02  -0.02    -0.10  -0.16   0.14    -0.00  -0.01   0.00
    14   1    -0.00   0.01   0.03     0.00  -0.07  -0.16    -0.00  -0.02   0.00
    15   1    -0.19  -0.08  -0.01     0.18   0.08   0.04    -0.46  -0.18  -0.01
    16   1     0.39  -0.31  -0.04     0.05  -0.05  -0.00     0.37  -0.29  -0.03
    17   1     0.10   0.64   0.07     0.04   0.23   0.02     0.01  -0.01  -0.00
    18   1    -0.44  -0.17  -0.02    -0.09  -0.04   0.00     0.46   0.18   0.02
    19   1     0.14  -0.11  -0.01    -0.14   0.11   0.02    -0.41   0.32   0.03
    20   1     0.00   0.02   0.03    -0.04  -0.15  -0.37    -0.00  -0.01  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1234.6121              1332.2650              1356.8244
 Red. masses --      2.1575                 3.3275                 1.7117
 Frc consts  --      1.9376                 3.4797                 1.8566
 IR Inten    --      4.3663                 4.2179                 3.0364
 RamAct Fr= 1--     24.3749                 0.8829                 0.9137
  Dep-P Fr= 1--      0.0542                 0.1258                 0.4503
  Dep-U Fr= 1--      0.1027                 0.2235                 0.6210
 Alpha2 Fr= 1--      0.4767                 0.0145                 0.0056
 Beta2  Fr= 1--      0.4174                 0.0329                 0.0946
 AlphaG Fr= 1--     -0.0993                -0.0110                 0.0051
 Gamma2 Fr= 1--     -0.7130                 0.4630                 0.7773
 Delta2 Fr= 1--     -0.1064                 0.1783                -0.4250
 Raman1 Fr= 1--      97.500                  3.531                  3.655
 ROA1   Fr= 1--     -71.854                 50.157                 61.023
 CID1   Fr= 1--      -0.737                 14.203                 16.697
 Raman2 Fr= 1--       5.009                  0.395                  1.135
 ROA2   Fr= 1--     -16.261                  9.687                 22.055
 CID2   Fr= 1--      -3.246                 24.547                 19.437
 Raman3 Fr= 1--      10.018                  0.789                  2.269
 ROA3   Fr= 1--     -71.854                 50.157                 61.023
 CID3   Fr= 1--      -7.173                 63.552                 26.889
 RC180  Fr= 1--      -0.795                 -0.553                  0.242
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.06   0.01    -0.14  -0.09  -0.01    -0.06  -0.00   0.00
     2   6     0.05  -0.03  -0.00     0.07  -0.08  -0.01     0.12  -0.06  -0.01
     3   6     0.25   0.01   0.00    -0.02   0.26   0.04     0.02  -0.02  -0.01
     4   6     0.02  -0.03  -0.00    -0.13  -0.07  -0.01    -0.12  -0.02  -0.00
     5   6    -0.06  -0.05  -0.00     0.13  -0.10  -0.01     0.05  -0.03  -0.00
     6   6     0.02   0.01   0.00     0.02   0.13   0.01     0.02   0.12   0.01
     7   6    -0.12  -0.03  -0.03     0.11  -0.07  -0.07    -0.06   0.02   0.04
     8   7     0.02   0.04   0.02    -0.04   0.02   0.01     0.01   0.00   0.00
     9   6     0.03   0.05   0.02    -0.05   0.05   0.02     0.03  -0.02  -0.02
    10   1    -0.03  -0.01   0.09     0.13  -0.02   0.24    -0.05   0.00  -0.05
    11   1    -0.69  -0.09  -0.12    -0.01  -0.18   0.36     0.20   0.12  -0.30
    12   1    -0.02   0.07  -0.14     0.15   0.08  -0.07    -0.11  -0.05   0.07
    13   1    -0.08  -0.09   0.09     0.11  -0.14  -0.00    -0.07   0.05   0.00
    14   1     0.00  -0.04  -0.09    -0.08  -0.15   0.03     0.03   0.02   0.01
    15   1    -0.37  -0.20  -0.01    -0.12  -0.07   0.01     0.46   0.21   0.01
    16   1    -0.26   0.10   0.01    -0.24   0.19   0.02     0.15  -0.11  -0.01
    17   1     0.00  -0.04  -0.00    -0.01  -0.09  -0.01    -0.05  -0.31  -0.03
    18   1    -0.21   0.00   0.00     0.41   0.12   0.01    -0.22  -0.06  -0.00
    19   1    -0.11   0.10   0.01     0.20  -0.18  -0.01    -0.43   0.36   0.04
    20   1     0.00  -0.08   0.04    -0.03  -0.02  -0.28     0.01  -0.03   0.05
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1376.2065              1406.5884              1412.6914
 Red. masses --      1.2046                 1.2322                 1.4245
 Frc consts  --      1.3442                 1.4363                 1.6749
 IR Inten    --      4.7058                 7.7464                12.1612
 RamAct Fr= 1--      4.3301                 0.3156                 2.9820
  Dep-P Fr= 1--      0.6622                 0.7111                 0.4929
  Dep-U Fr= 1--      0.7968                 0.8312                 0.6603
 Alpha2 Fr= 1--      0.0068                 0.0002                 0.0152
 Beta2  Fr= 1--      0.5750                 0.0437                 0.3282
 AlphaG Fr= 1--     -0.0004                 0.0019                 0.0435
 Gamma2 Fr= 1--     -2.4605                -0.0432                 0.9534
 Delta2 Fr= 1--      0.0869                 0.1002                 0.1779
 Raman1 Fr= 1--      17.320                  1.262                 11.928
 ROA1   Fr= 1--    -233.424                 -0.938                 97.218
 CID1   Fr= 1--     -13.477                 -0.743                  8.150
 Raman2 Fr= 1--       6.900                  0.525                  3.938
 ROA2   Fr= 1--     -59.747                 -1.837                 21.459
 CID2   Fr= 1--      -8.659                 -3.502                  5.449
 Raman3 Fr= 1--      13.800                  1.049                  7.876
 ROA3   Fr= 1--    -233.424                 -0.938                 97.218
 CID3   Fr= 1--     -16.915                 -0.894                 12.343
 RC180  Fr= 1--       0.594                  0.662                  0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.00    -0.00  -0.00  -0.00    -0.05  -0.00  -0.00
     2   6     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.02  -0.00   0.00
     3   6    -0.01  -0.05  -0.00    -0.00   0.01  -0.00     0.04   0.02   0.00
     4   6    -0.02  -0.00  -0.00     0.01   0.00   0.00     0.01   0.02   0.00
     5   6    -0.02   0.02   0.00     0.01  -0.00  -0.00     0.03  -0.04  -0.00
     6   6     0.00   0.02   0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
     7   6     0.03   0.04  -0.08    -0.01  -0.01   0.01    -0.15   0.03  -0.02
     8   7     0.01  -0.04  -0.01     0.00  -0.00   0.00     0.04  -0.04  -0.02
     9   6    -0.01   0.05   0.02     0.07   0.07  -0.10     0.04  -0.02   0.02
    10   1    -0.02  -0.00  -0.10     0.00   0.01  -0.02    -0.14  -0.00  -0.25
    11   1    -0.26  -0.19   0.79     0.06   0.01  -0.01     0.61   0.06   0.39
    12   1     0.01   0.06  -0.06    -0.29  -0.08   0.48    -0.16  -0.00  -0.19
    13   1    -0.01  -0.11   0.06    -0.40  -0.37   0.21    -0.10   0.21   0.02
    14   1    -0.05  -0.14   0.02    -0.03  -0.34   0.44     0.03   0.01  -0.05
    15   1     0.21   0.08   0.02    -0.04  -0.02  -0.00    -0.18  -0.05   0.00
    16   1     0.15  -0.11  -0.01    -0.04   0.03   0.00    -0.19   0.14   0.01
    17   1    -0.02  -0.13  -0.01     0.01   0.05   0.00     0.02   0.15   0.02
    18   1    -0.17  -0.06  -0.01     0.04   0.02   0.00     0.13   0.07   0.00
    19   1    -0.16   0.13   0.01     0.06  -0.05  -0.01     0.05  -0.02  -0.00
    20   1     0.02   0.07   0.13     0.00   0.01   0.01     0.05   0.04   0.31
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.4102              1493.6132              1496.3249
 Red. masses --      1.3830                 1.2680                 1.1895
 Frc consts  --      1.8100                 1.6667                 1.5692
 IR Inten    --      6.4099                 1.1655                 7.6628
 RamAct Fr= 1--      1.9188                 4.1728                 3.3710
  Dep-P Fr= 1--      0.7417                 0.7462                 0.4559
  Dep-U Fr= 1--      0.8517                 0.8547                 0.6262
 Alpha2 Fr= 1--      0.0003                 0.0003                 0.0202
 Beta2  Fr= 1--      0.2724                 0.5944                 0.3519
 AlphaG Fr= 1--     -0.0085                -0.0002                -0.0485
 Gamma2 Fr= 1--     -1.6940                 1.5089                -2.9570
 Delta2 Fr= 1--      0.1701                -1.7600                 1.2266
 Raman1 Fr= 1--       7.675                 16.691                 13.484
 ROA1   Fr= 1--    -157.178                 88.537               -244.619
 CID1   Fr= 1--     -20.478                  5.304                -18.141
 Raman2 Fr= 1--       3.269                  7.133                  4.222
 ROA2   Fr= 1--     -42.016                 50.295                -80.780
 CID2   Fr= 1--     -12.854                  7.051                -19.132
 Raman3 Fr= 1--       6.537                 14.265                  8.444
 ROA3   Fr= 1--    -157.178                 88.537               -244.619
 CID3   Fr= 1--     -24.044                  6.207                -28.968
 RC180  Fr= 1--       0.703                  0.709                  0.252
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.02   0.00     0.05  -0.02  -0.00    -0.04   0.00   0.00
     2   6     0.06   0.02   0.00    -0.04  -0.01  -0.00     0.02   0.02   0.00
     3   6    -0.01  -0.09  -0.01     0.02   0.07   0.01    -0.01  -0.05  -0.01
     4   6    -0.04   0.04   0.00     0.03  -0.03  -0.00    -0.04   0.01   0.00
     5   6     0.08  -0.01  -0.00    -0.06   0.00   0.00     0.04   0.01   0.00
     6   6    -0.01  -0.07  -0.01     0.01   0.06   0.01     0.00  -0.04  -0.00
     7   6    -0.01   0.02  -0.02    -0.02  -0.03  -0.02     0.06  -0.01   0.00
     8   7     0.01  -0.00   0.00     0.00   0.00   0.00    -0.01   0.01   0.00
     9   6    -0.03  -0.01  -0.02    -0.00  -0.04  -0.03     0.03  -0.03   0.00
    10   1    -0.03   0.00  -0.03    -0.02  -0.01   0.01     0.05  -0.00   0.08
    11   1    -0.11  -0.02   0.06     0.12  -0.02   0.06    -0.24  -0.05  -0.04
    12   1     0.54   0.01   0.22     0.41   0.05  -0.14    -0.21   0.04  -0.46
    13   1    -0.09  -0.30   0.08    -0.43   0.09   0.14    -0.36   0.51   0.04
    14   1     0.09   0.48   0.09     0.11   0.45   0.44     0.00  -0.11   0.40
    15   1     0.08   0.09   0.01    -0.06  -0.07  -0.01     0.12   0.08   0.01
    16   1    -0.15   0.18   0.02     0.11  -0.14  -0.01    -0.02   0.07   0.01
    17   1     0.05   0.34   0.04    -0.04  -0.28  -0.03     0.04   0.19   0.02
    18   1     0.17   0.12   0.01    -0.13  -0.09  -0.01     0.14   0.08   0.01
    19   1    -0.08   0.13   0.03     0.03  -0.08   0.00     0.01   0.04  -0.00
    20   1     0.01  -0.01   0.01     0.00  -0.01  -0.01    -0.01   0.01  -0.08
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1536.5278              1630.5898              1647.7431
 Red. masses --      2.2281                 5.4311                 1.8976
 Frc consts  --      3.0993                 8.5081                 3.0355
 IR Inten    --      7.4663                 0.6408                13.3717
 RamAct Fr= 1--      0.0911                 8.7661                18.9164
  Dep-P Fr= 1--      0.6659                 0.7454                 0.7126
  Dep-U Fr= 1--      0.7995                 0.8541                 0.8322
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0122
 Beta2  Fr= 1--      0.0121                 1.2479                 2.6236
 AlphaG Fr= 1--      0.0003                 0.0045                -0.0204
 Gamma2 Fr= 1--      0.2637                 0.1779                -1.3403
 Delta2 Fr= 1--     -0.0456                 0.1155                 0.7559
 Raman1 Fr= 1--       0.364                 35.065                 75.666
 ROA1   Fr= 1--      23.857                 20.775               -104.479
 CID1   Fr= 1--      65.462                  0.592                 -1.381
 Raman2 Fr= 1--       0.146                 14.974                 31.483
 ROA2   Fr= 1--       6.694                  3.346                -38.214
 CID2   Fr= 1--      45.951                  0.223                 -1.214
 Raman3 Fr= 1--       0.291                 29.949                 62.967
 ROA3   Fr= 1--      23.857                 20.775               -104.479
 CID3   Fr= 1--      81.884                  0.694                 -1.659
 RC180  Fr= 1--       0.599                  0.708                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13  -0.09  -0.01    -0.09  -0.19  -0.02    -0.12  -0.01  -0.00
     2   6    -0.05   0.11   0.01    -0.08   0.20   0.02     0.12  -0.05  -0.01
     3   6     0.14  -0.02  -0.00    -0.04  -0.30  -0.03    -0.09   0.01  -0.00
     4   6    -0.08  -0.09  -0.01     0.11   0.17   0.02     0.13   0.02   0.00
     5   6    -0.10   0.12   0.01     0.05  -0.22  -0.02    -0.11   0.04   0.01
     6   6     0.11  -0.01  -0.00     0.04   0.35   0.04     0.06  -0.00  -0.00
     7   6    -0.05   0.01  -0.00     0.02   0.03   0.00    -0.00  -0.02   0.01
     8   7     0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.04  -0.03  -0.05
     9   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   1    -0.05   0.00  -0.05     0.03   0.01  -0.00     0.59   0.07   0.25
    11   1     0.01   0.01   0.02    -0.24  -0.01  -0.01    -0.00  -0.00  -0.06
    12   1     0.02  -0.01   0.08    -0.02  -0.01   0.02     0.02   0.00  -0.00
    13   1     0.06  -0.08  -0.00     0.02  -0.01  -0.00    -0.01  -0.01   0.00
    14   1    -0.00   0.02  -0.09    -0.00  -0.01  -0.02     0.01   0.02   0.00
    15   1     0.41   0.09   0.01    -0.28   0.02   0.01    -0.14  -0.09  -0.01
    16   1     0.40  -0.26  -0.03    -0.26   0.00   0.00     0.09  -0.11  -0.01
    17   1     0.13  -0.03  -0.00    -0.08  -0.47  -0.05     0.07  -0.01  -0.00
    18   1     0.46   0.13   0.01     0.22  -0.09  -0.01     0.12   0.09   0.01
    19   1     0.40  -0.23  -0.02     0.31  -0.09  -0.01    -0.12   0.14   0.00
    20   1     0.00  -0.02   0.02     0.00   0.03   0.03     0.02   0.50   0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1655.0859              3024.7747              3026.4526
 Red. masses --      1.7570                 1.0358                 1.0832
 Frc consts  --      2.8358                 5.5834                 5.8457
 IR Inten    --     27.2956                24.5281                18.5298
 RamAct Fr= 1--     13.6837               173.9834               107.1492
  Dep-P Fr= 1--      0.5798                 0.0421                 0.1316
  Dep-U Fr= 1--      0.7340                 0.0808                 0.2326
 Alpha2 Fr= 1--      0.0437                 3.5020                 1.7348
 Beta2  Fr= 1--      1.6740                 2.3422                 4.1545
 AlphaG Fr= 1--      0.0592                -0.0849                -0.2690
 Gamma2 Fr= 1--      2.6331                 0.4251                 3.0112
 Delta2 Fr= 1--     -0.2468                -1.4115                 1.9954
 Raman1 Fr= 1--      54.735                695.934                428.597
 ROA1   Fr= 1--     244.877                 -4.359                352.932
 CID1   Fr= 1--       4.474                 -0.006                  0.823
 Raman2 Fr= 1--      20.089                 28.106                 49.854
 ROA2   Fr= 1--      65.169                 21.494                 56.306
 CID2   Fr= 1--       3.244                  0.765                  1.129
 Raman3 Fr= 1--      40.177                 56.212                 99.708
 ROA3   Fr= 1--     244.877                 -4.359                352.932
 CID3   Fr= 1--       6.095                 -0.078                  3.540
 RC180  Fr= 1--       0.468                 -0.838                 -0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.11   0.05   0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.10  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.12  -0.02  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.09  -0.04  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.05   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.03  -0.02   0.01     0.00  -0.01  -0.00     0.01  -0.08  -0.02
     8   7    -0.04  -0.03  -0.05    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9   6     0.00   0.00   0.00    -0.03  -0.02   0.04    -0.00   0.02   0.00
    10   1     0.60   0.07   0.24     0.00  -0.00   0.00     0.01  -0.02  -0.00
    11   1     0.01   0.00  -0.06    -0.02   0.15   0.03    -0.14   0.94   0.19
    12   1     0.03   0.00   0.00    -0.06   0.50   0.10     0.03  -0.23  -0.04
    13   1     0.00  -0.02   0.01    -0.23  -0.12  -0.51     0.01   0.01   0.04
    14   1     0.01   0.04  -0.02     0.61  -0.14   0.00    -0.02   0.01   0.00
    15   1     0.14   0.08   0.01     0.00  -0.00  -0.00     0.01  -0.02  -0.00
    16   1    -0.07   0.09   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.05   0.02   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    18   1    -0.10  -0.07  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1     0.10  -0.11  -0.02    -0.01  -0.01  -0.00     0.01   0.01   0.00
    20   1     0.02   0.51   0.40     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3087.2422              3095.3151              3160.7996
 Red. masses --      1.1020                 1.1016                 1.0853
 Frc consts  --      6.1880                 6.2182                 6.3885
 IR Inten    --     39.0955                31.1105                 7.1553
 RamAct Fr= 1--     93.0897                37.6590                19.9746
  Dep-P Fr= 1--      0.7114                 0.5651                 0.4147
  Dep-U Fr= 1--      0.8314                 0.7221                 0.5863
 Alpha2 Fr= 1--      0.0621                 0.1318                 0.1403
 Beta2  Fr= 1--     12.8991                 4.5324                 1.9518
 AlphaG Fr= 1--     -0.0195                 0.0115                -0.0027
 Gamma2 Fr= 1--     -1.9986                 2.9597                -0.1359
 Delta2 Fr= 1--      1.5838                 1.6180                -0.1372
 Raman1 Fr= 1--     372.359                150.636                 79.898
 ROA1   Fr= 1--    -141.188                335.903                -17.436
 CID1   Fr= 1--      -0.379                  2.230                 -0.218
 Raman2 Fr= 1--     154.789                 54.389                 23.421
 ROA2   Fr= 1--     -60.638                 58.088                 -2.163
 CID2   Fr= 1--      -0.392                  1.068                 -0.092
 Raman3 Fr= 1--     309.577                108.779                 46.843
 ROA3   Fr= 1--    -141.188                335.903                -17.436
 CID3   Fr= 1--      -0.456                  3.088                 -0.372
 RC180  Fr= 1--       0.663                  0.444                  0.173
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.04   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.04  -0.05  -0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01   0.02   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.02  -0.00  -0.00
     7   6    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
     8   7     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.08   0.03  -0.04    -0.00  -0.07  -0.05     0.00  -0.00  -0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    11   1     0.01  -0.07  -0.01    -0.02   0.15   0.03     0.00  -0.00  -0.00
    12   1     0.01  -0.28  -0.06    -0.09   0.76   0.13    -0.00   0.04   0.01
    13   1     0.20   0.13   0.51     0.23   0.11   0.53     0.00   0.00   0.01
    14   1     0.75  -0.17  -0.01    -0.13   0.01  -0.01    -0.00   0.00  -0.00
    15   1    -0.00   0.01   0.00     0.01  -0.01  -0.00     0.10  -0.25  -0.02
    16   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.17   0.22   0.02
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.30   0.04   0.01
    18   1     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.18  -0.47  -0.05
    19   1     0.01   0.01   0.00    -0.03  -0.04  -0.00     0.43   0.55   0.05
    20   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3164.8426              3174.7777              3183.0837
 Red. masses --      1.0868                 1.0897                 1.0935
 Frc consts  --      6.4136                 6.4714                 6.5278
 IR Inten    --      2.4075                 7.8683                32.3042
 RamAct Fr= 1--     85.1833               120.3266                30.4169
  Dep-P Fr= 1--      0.7395                 0.4826                 0.7490
  Dep-U Fr= 1--      0.8502                 0.6510                 0.8565
 Alpha2 Fr= 1--      0.0153                 0.6431                 0.0005
 Beta2  Fr= 1--     12.0707                13.0554                 4.3420
 AlphaG Fr= 1--     -0.0054                 0.0035                -0.0016
 Gamma2 Fr= 1--     -1.9854                -0.8694                 0.5673
 Delta2 Fr= 1--     -0.4244                -0.5512                -0.7591
 Raman1 Fr= 1--     340.733                481.306                121.668
 ROA1   Fr= 1--    -204.178               -101.101                 30.174
 CID1   Fr= 1--      -0.599                 -0.210                  0.248
 Raman2 Fr= 1--     144.848                156.664                 52.104
 ROA2   Fr= 1--     -44.255                -16.457                 19.689
 CID2   Fr= 1--      -0.306                 -0.105                  0.378
 Raman3 Fr= 1--     289.696                313.328                104.208
 ROA3   Fr= 1--    -204.178               -101.101                 30.174
 CID3   Fr= 1--      -0.705                 -0.323                  0.290
 RC180  Fr= 1--       0.700                  0.302                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00     0.01  -0.03  -0.00     0.02  -0.05  -0.01
     2   6    -0.02  -0.03  -0.00    -0.02  -0.03  -0.00    -0.02  -0.02  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.02  -0.06  -0.01    -0.01   0.04   0.00     0.01  -0.03  -0.00
     5   6     0.02   0.03   0.00     0.01   0.01   0.00    -0.03  -0.04  -0.00
     6   6    -0.01   0.00   0.00    -0.05   0.01   0.00     0.01   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   1    -0.00   0.02   0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
    12   1    -0.00   0.03   0.01    -0.00   0.02   0.00    -0.00   0.01   0.00
    13   1     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.26   0.67   0.06     0.17  -0.44  -0.04    -0.13   0.34   0.03
    16   1    -0.30  -0.38  -0.04    -0.14  -0.17  -0.02     0.38   0.48   0.05
    17   1     0.16  -0.02  -0.00     0.63  -0.09  -0.01    -0.07   0.01   0.00
    18   1     0.05  -0.13  -0.01    -0.13   0.33   0.03    -0.23   0.57   0.06
    19   1     0.27   0.34   0.03     0.26   0.34   0.03     0.19   0.24   0.02
    20   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3194.4313              3472.0778              3551.7595
 Red. masses --      1.0975                 1.0482                 1.0931
 Frc consts  --      6.5987                 7.4452                 8.1242
 IR Inten    --     14.2345                 1.8000                 0.3018
 RamAct Fr= 1--    323.2581               187.1514                61.0143
  Dep-P Fr= 1--      0.0930                 0.1255                 0.6596
  Dep-U Fr= 1--      0.1701                 0.2230                 0.7949
 Alpha2 Fr= 1--      5.7579                 3.0771                 0.0985
 Beta2  Fr= 1--      9.1650                 6.9547                 8.0831
 AlphaG Fr= 1--      0.0500                -0.1913                 0.2182
 Gamma2 Fr= 1--      0.8493                -1.4867                 4.0000
 Delta2 Fr= 1--      0.1661                -5.9695                 2.7485
 Raman1 Fr= 1--    1293.033                748.606                244.057
 ROA1   Fr= 1--      86.848               -333.749                471.948
 CID1   Fr= 1--       0.067                 -0.446                  1.934
 Raman2 Fr= 1--     109.980                 83.456                 96.997
 ROA2   Fr= 1--      19.055                 12.075                 74.011
 CID2   Fr= 1--       0.173                  0.145                  0.763
 Raman3 Fr= 1--     219.959                166.912                193.995
 ROA3   Fr= 1--      86.848               -333.749                471.948
 CID3   Fr= 1--       0.395                 -2.000                  2.433
 RC180  Fr= 1--      -0.660                 -0.554                  0.590
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.01   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.01  -0.02  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.03  -0.04  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.06   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00    -0.04  -0.04  -0.02     0.06  -0.05  -0.02
     9   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   1     0.00   0.00   0.00    -0.20   0.59   0.23    -0.19   0.68   0.25
    11   1    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.01   0.00
    12   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   1    -0.07   0.18   0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.31   0.40   0.04    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1     0.67  -0.10  -0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.16  -0.42  -0.04    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   1    -0.10  -0.13  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    20   1     0.00  -0.00  -0.00     0.74  -0.07  -0.00    -0.66   0.03   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   527.103851650.114751809.83533
           X            0.99992   0.00795  -0.00954
           Y           -0.00774   0.99972   0.02235
           Z            0.00972  -0.02227   0.99970
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16432     0.05249     0.04786
 Rotational constants (GHZ):           3.42388     1.09371     0.99719
 Zero-point vibrational energy     455246.6 (Joules/Mol)
                                  108.80656 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     39.97   185.28   282.40   345.89   374.44
          (Kelvin)            463.64   477.02   595.99   693.39   789.13
                              855.14   919.45  1024.54  1102.36  1124.57
                             1209.71  1227.07  1313.44  1334.69  1376.63
                             1402.66  1456.08  1477.12  1517.93  1545.40
                             1601.13  1614.07  1704.70  1726.79  1737.57
                             1776.33  1916.83  1952.17  1980.05  2023.77
                             2032.55  2144.37  2148.98  2152.88  2210.72
                             2346.05  2370.73  2381.30  4351.98  4354.39
                             4441.85  4453.47  4547.69  4553.50  4567.80
                             4579.75  4596.07  4995.55  5110.19
 
 Zero-point correction=                           0.173394 (Hartree/Particle)
 Thermal correction to Energy=                    0.182034
 Thermal correction to Enthalpy=                  0.182978
 Thermal correction to Gibbs Free Energy=         0.139457
 Sum of electronic and zero-point Energies=           -366.225081
 Sum of electronic and thermal Energies=              -366.216441
 Sum of electronic and thermal Enthalpies=            -366.215497
 Sum of electronic and thermal Free Energies=         -366.259018
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.228             33.154             91.598
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.844
 Vibrational            112.451             27.193             22.465
 Vibration     1          0.593              1.984              5.982
 Vibration     2          0.611              1.924              2.964
 Vibration     3          0.636              1.845              2.168
 Vibration     4          0.657              1.779              1.800
 Vibration     5          0.668              1.745              1.660
 Vibration     6          0.707              1.631              1.299
 Vibration     7          0.714              1.613              1.253
 Vibration     8          0.778              1.439              0.912
 Vibration     9          0.838              1.290              0.705
 Vibration    10          0.904              1.143              0.547
 Vibration    11          0.952              1.044              0.459
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.714652D-64        -64.145906       -147.701406
 Total V=0       0.407247D+16         15.609858         35.943026
 Vib (Bot)       0.303817D-77        -77.517388       -178.490381
 Vib (Bot)    1  0.745469D+01          0.872430          2.008843
 Vib (Bot)    2  0.158356D+01          0.199636          0.459678
 Vib (Bot)    3  0.101733D+01          0.007460          0.017178
 Vib (Bot)    4  0.815480D+00         -0.088587         -0.203979
 Vib (Bot)    5  0.746231D+00         -0.127127         -0.292720
 Vib (Bot)    6  0.582564D+00         -0.234656         -0.540316
 Vib (Bot)    7  0.563024D+00         -0.249473         -0.574433
 Vib (Bot)    8  0.425748D+00         -0.370847         -0.853907
 Vib (Bot)    9  0.346459D+00         -0.460348         -1.059990
 Vib (Bot)   10  0.286543D+00         -0.542810         -1.249867
 Vib (Bot)   11  0.252688D+00         -0.597416         -1.375600
 Vib (V=0)       0.173131D+03          2.238376          5.154051
 Vib (V=0)    1  0.797144D+01          0.901537          2.075865
 Vib (V=0)    2  0.216062D+01          0.334579          0.770397
 Vib (V=0)    3  0.163356D+01          0.213134          0.490760
 Vib (V=0)    4  0.145656D+01          0.163328          0.376077
 Vib (V=0)    5  0.139825D+01          0.145586          0.335224
 Vib (V=0)    6  0.126771D+01          0.103020          0.237213
 Vib (V=0)    7  0.125299D+01          0.097948          0.225534
 Vib (V=0)    8  0.115670D+01          0.063223          0.145575
 Vib (V=0)    9  0.110830D+01          0.044659          0.102831
 Vib (V=0)   10  0.107629D+01          0.031928          0.073517
 Vib (V=0)   11  0.106022D+01          0.025398          0.058480
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.449128D+06          5.652370         13.015064
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3      33333 3333                                               111 1111 11111 1111111111                                    
     5  4      11111 0000                                               666 5444 44333 2221110000999988 77 7  65 5 4  4 33 221  1    
     5  7      98766 9822                                               543 3999 10753 3008217521752154 86 1  39 4 8  1 32 649  2   2
     2  2      43551 5765                                               581 7640 37672 5805234572578331 26 2  94 8 2  4 22 006  9   8
 
     X  X      XXXXX XXXX                                               XXX XXXX XXXXX X XXXXXXXXX XXXX XX X   X X X    XX XXX  X   X
               XX    XXXX                                               XX       X           X      X X XX X                XX       
                X    XXXX                                               X                    X        X X  X                 X       
                X    XX X                                               X                             X X  X                 X       
                X    XX                                                                               X X  X                 X       
                      X                                                                               X X  X                         
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000017300   -0.000000289    0.000001873
      2        6          -0.000011025    0.000013233   -0.000000966
      3        6           0.000002585   -0.000010336    0.000003593
      4        6           0.000019614    0.000004904    0.000001834
      5        6          -0.000012046    0.000013336    0.000000431
      6        6           0.000000729   -0.000017672   -0.000002444
      7        6          -0.000029352   -0.000016342   -0.000045414
      8        7           0.000010797    0.000003096    0.000040991
      9        6           0.000008579    0.000013081   -0.000003002
     10        1          -0.000000687    0.000003612   -0.000004408
     11        1           0.000001136    0.000003045    0.000007036
     12        1          -0.000002455   -0.000004821    0.000005252
     13        1           0.000000921   -0.000001690    0.000000937
     14        1          -0.000004859   -0.000001742   -0.000000058
     15        1          -0.000002159    0.000001207   -0.000001350
     16        1           0.000001835   -0.000001348    0.000002037
     17        1           0.000001652    0.000002041    0.000001343
     18        1          -0.000002639   -0.000000966   -0.000002100
     19        1          -0.000001664   -0.000002889    0.000001087
     20        1           0.000001738    0.000000539   -0.000006673
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000045414 RMS     0.000011039
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.135796D+03  0.879471D+00 -0.761137D+00
      2   0.879471D+00  0.109287D+03  0.221688D+01
      3  -0.761137D+00  0.221688D+01  0.800100D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.145108D+01 -0.156679D+01 -0.135224D+01
      2   0.207012D+01 -0.829753D+01  0.199692D+02
      3  -0.482034D+01  0.344717D+02  0.730877D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.626477D+02  0.240489D+01  0.341987D+01
      2   0.129024D+02  0.381330D+01  0.495349D+01
      3   0.497454D+02 -0.621819D+01 -0.837337D+01
      4   0.995759D+01 -0.717228D+02 -0.184742D+02
      5  -0.915439D+01 -0.176323D+02  0.536102D+02
      6  -0.567960D+01 -0.536744D+01  0.190457D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.343979D+01 -0.676939D+00 -0.193355D+00  0.504598D+01 -0.310532D+00
      2  -0.676939D+00 -0.195762D+01 -0.459936D-01 -0.310532D+00  0.121586D+01
      3  -0.193355D+00 -0.459936D-01 -0.926239D+00  0.168388D+00 -0.552240D+00
                 6             7             8             9            10 
      1   0.168388D+00  0.649969D+00  0.216791D+00 -0.192003D+01 -0.269447D+01
      2  -0.552240D+00  0.216791D+00 -0.653410D+00  0.412658D+01 -0.686092D+00
      3   0.237996D+01 -0.192003D+01  0.412658D+01  0.123947D+01  0.121936D+00
                11            12            13            14            15 
      1  -0.686092D+00  0.121936D+00  0.761529D+01  0.186757D+00 -0.100353D+00
      2   0.355245D+01  0.203171D+00  0.186757D+00  0.994725D+00 -0.269775D+00
      3   0.203171D+00  0.188429D+01 -0.100353D+00 -0.269775D+00  0.130845D+01
                16            17            18            19            20 
      1   0.805880D+00 -0.805400D-01  0.175146D+01  0.158915D+02 -0.143323D+01
      2  -0.805400D-01 -0.561641D+00  0.315744D+01 -0.143323D+01  0.244714D+01
      3   0.175146D+01  0.315744D+01  0.809678D+00 -0.852435D-02  0.232160D+00
                21            22            23            24            25 
      1  -0.852435D-02 -0.268834D+01 -0.144584D+01 -0.840364D+00 -0.418631D+00
      2   0.232160D+00 -0.144584D+01 -0.819892D+00 -0.196730D+00 -0.624269D+00
      3   0.175336D+01 -0.840364D+00 -0.196730D+00  0.429587D+00  0.426486D+01
                26            27            28            29            30 
      1  -0.624269D+00  0.426486D+01 -0.414281D+01  0.249032D+01  0.203516D+00
      2  -0.490924D-01 -0.301296D+00  0.249032D+01  0.254340D+01  0.643894D-01
      3  -0.301296D+00  0.342965D-02  0.203516D+00  0.643894D-01  0.139770D+01
                31            32            33            34            35 
      1  -0.602528D+01  0.480542D-01 -0.344924D-01 -0.678213D+00 -0.197438D+00
      2   0.480542D-01 -0.138318D+01  0.329625D+00 -0.197438D+00  0.549887D+00
      3  -0.344924D-01  0.329625D+00 -0.204950D+01  0.121884D+01 -0.388873D+01
                36            37            38            39            40 
      1   0.121884D+01  0.170867D+01 -0.537513D+00 -0.825154D-02 -0.551153D+01
      2  -0.388873D+01 -0.537513D+00 -0.341778D+01 -0.347979D+00  0.718994D+00
      3  -0.114632D+01 -0.825154D-02 -0.347979D+00 -0.151582D+01  0.293886D+00
                41            42            43            44            45 
      1   0.718994D+00  0.293886D+00 -0.779248D+00  0.344769D+00 -0.312962D+01
      2  -0.240569D+00  0.593992D+00  0.344769D+00  0.703734D+00 -0.353207D+01
      3   0.593992D+00 -0.202982D+01 -0.312962D+01 -0.353207D+01 -0.941152D+00
                46            47            48            49            50 
      1  -0.534183D+01  0.172564D+00  0.403257D-02  0.847955D+00  0.102620D+01
      2   0.172564D+00 -0.320431D+01 -0.541289D-01  0.102620D+01 -0.424201D+00
      3   0.403257D-02 -0.541289D-01 -0.285007D+01  0.798399D+00 -0.218734D+00
                51            52            53            54            55 
      1   0.798399D+00  0.664389D-01  0.672519D+00 -0.549476D+01 -0.222271D+01
      2  -0.218734D+00  0.672519D+00 -0.132332D+00  0.662360D+00 -0.414769D+00
      3   0.436048D+00 -0.549476D+01  0.662360D+00  0.274752D+00  0.223056D+00
                56            57            58            59            60 
      1  -0.414769D+00  0.223056D+00 -0.176593D+01 -0.111225D+01  0.139512D+01
      2  -0.707072D+00  0.138150D+01 -0.111225D+01  0.599063D+01  0.286261D+01
      3   0.138150D+01 -0.414727D+01  0.139512D+01  0.286261D+01 -0.294969D+01
                61            62            63            64            65 
      1  -0.535730D+00  0.105359D+01 -0.552760D+01 -0.813941D+01 -0.459752D-01
      2   0.105359D+01  0.210917D+01 -0.485969D+00 -0.459752D-01  0.967903D+00
      3  -0.552760D+01 -0.485969D+00  0.483905D+00 -0.125700D+00 -0.678703D+00
                66            67            68            69            70 
      1  -0.125700D+00  0.929665D-01  0.117900D+01 -0.105730D+01  0.272977D+01
      2  -0.678703D+00  0.117900D+01 -0.391099D+01 -0.118387D+01 -0.935835D+00
      3   0.127776D+01 -0.105730D+01 -0.118387D+01 -0.158601D+00  0.316156D+01
                71            72            73            74            75 
      1  -0.935835D+00  0.316156D+01 -0.883267D+01  0.181743D+01  0.319312D+00
      2  -0.208126D+01 -0.107231D+01  0.181743D+01  0.946464D+00 -0.832837D+00
      3  -0.107231D+01  0.360681D+01  0.319312D+00 -0.832837D+00  0.468366D+01
                76            77            78            79            80 
      1   0.413563D+01  0.741365D+00 -0.113980D+01 -0.232818D+01 -0.118348D+01
      2   0.741365D+00 -0.485466D+01 -0.170191D+01 -0.118348D+01 -0.156797D+01
      3  -0.113980D+01 -0.170191D+01  0.337294D+01  0.395324D+01  0.175867D+01
                81            82            83            84            85 
      1   0.395324D+01 -0.788674D+00  0.460619D+00 -0.956179D-01  0.218969D+01
      2   0.175867D+01  0.460619D+00 -0.115645D+01 -0.201406D+00  0.382519D-01
      3   0.402612D+01 -0.956179D-01 -0.201406D+00 -0.916352D+00  0.449548D+00
                86            87            88            89            90 
      1   0.382519D-01  0.449548D+00  0.763447D+00  0.269468D+00  0.340465D+00
      2   0.406295D+01  0.235502D+01  0.269468D+00  0.264352D+01  0.910886D+00
      3   0.235502D+01  0.225826D+01  0.340465D+00  0.910886D+00  0.221617D+01
                91            92            93            94            95 
      1   0.615226D-01 -0.116292D+01 -0.381211D+00 -0.263333D+01  0.173406D+01
      2  -0.116292D+01  0.122962D+01  0.111320D+00  0.173406D+01 -0.693920D+01
      3  -0.381211D+00  0.111320D+00  0.923464D+00  0.761611D-01 -0.137954D+01
                96            97            98            99           100 
      1   0.761611D-01 -0.477427D+00  0.162516D+00  0.914115D+00  0.391337D+00
      2  -0.137954D+01  0.162516D+00 -0.128417D+01 -0.119717D+01  0.571528D+00
      3  -0.155710D+01  0.914115D+00 -0.119717D+01 -0.847891D+00  0.157939D+00
               101           102           103           104           105 
      1   0.571528D+00  0.157939D+00  0.214144D+01  0.697062D+00 -0.410247D+00
      2  -0.101737D+00  0.176225D+00  0.697062D+00  0.661708D+01 -0.236258D+00
      3   0.176225D+00 -0.614043D+00 -0.410247D+00 -0.236258D+00  0.156655D+01
               106           107           108           109           110 
      1   0.852021D+00  0.300853D+00 -0.348821D+00 -0.232775D+00 -0.323869D+00
      2   0.300853D+00  0.873036D+00  0.619248D+00 -0.323869D+00 -0.510226D+00
      3  -0.348821D+00  0.619248D+00 -0.268711D+00 -0.925202D+00  0.579293D-01
               111           112           113           114           115 
      1  -0.925202D+00 -0.822914D+00 -0.120058D+00  0.162058D+00 -0.163805D+01
      2   0.579293D-01 -0.120058D+00 -0.153192D+00 -0.938095D+00 -0.127149D+00
      3  -0.287124D+01  0.162058D+00 -0.938095D+00 -0.171409D+01 -0.430532D+00
               116           117           118           119           120 
      1  -0.127149D+00 -0.430532D+00  0.125362D+02 -0.700267D+00 -0.197658D+01
      2  -0.113719D+01 -0.315820D+00 -0.700267D+00  0.112039D+01 -0.232823D-01
      3  -0.315820D+00 -0.944733D+01 -0.197658D+01 -0.232823D-01  0.151532D+01
               121           122           123           124           125 
      1  -0.231909D+01  0.114527D+01  0.515874D+00 -0.771186D-01  0.211267D+00
      2   0.114527D+01 -0.692764D-01 -0.984012D-01  0.211267D+00  0.189264D+00
      3   0.515874D+00 -0.984012D-01 -0.893210D+00  0.943172D+00 -0.238716D+00
               126           127           128           129           130 
      1   0.943172D+00  0.160376D+01 -0.176007D+01 -0.158284D+00 -0.168026D+01
      2  -0.238716D+00 -0.176007D+01  0.227248D+01  0.205407D+00  0.200562D+01
      3  -0.822021D+00 -0.158284D+00  0.205407D+00  0.211960D+00  0.216369D+00
               131           132           133           134           135 
      1   0.200562D+01  0.216369D+00 -0.592101D-01  0.213284D+00 -0.396740D-01
      2  -0.896029D+01 -0.712368D+00  0.213284D+00 -0.744810D+00 -0.204661D+00
      3  -0.712368D+00 -0.102073D+01 -0.396740D-01 -0.204661D+00 -0.731282D-01
               136           137           138           139           140 
      1  -0.504438D+01 -0.385998D+01 -0.358235D+00 -0.385253D+01 -0.446142D+01
      2  -0.385998D+01 -0.359639D+01 -0.268748D+00 -0.446142D+01 -0.663196D+01
      3  -0.358235D+00 -0.268748D+00 -0.645942D+00 -0.412667D+00 -0.537268D+00
               141           142           143           144           145 
      1  -0.412667D+00 -0.327443D+00 -0.415447D+00 -0.106903D+00 -0.130223D+02
      2  -0.537268D+00 -0.415447D+00 -0.642964D+00 -0.927338D-01  0.146082D+01
      3  -0.870726D+00 -0.106903D+00 -0.927338D-01 -0.765981D-01  0.234480D+00
               146           147           148           149           150 
      1   0.146082D+01  0.234480D+00  0.148086D+01 -0.173631D+01 -0.189236D+00
      2  -0.102898D+01 -0.123929D-01 -0.173631D+01  0.541935D+00  0.471455D-01
      3  -0.123929D-01 -0.101220D+01 -0.189236D+00  0.471455D-01  0.157079D+00
               151           152           153           154           155 
      1   0.188542D+00 -0.199498D+00  0.160525D-01 -0.221683D+01  0.256537D+01
      2  -0.199498D+00  0.500203D-01  0.179933D-01  0.256537D+01 -0.282557D+01
      3   0.160525D-01  0.179933D-01  0.319213D-01  0.275009D+00 -0.273882D+00
               156           157           158           159           160 
      1   0.275009D+00  0.237522D+01 -0.379191D+01 -0.406237D+00  0.273343D+00
      2  -0.273882D+00 -0.379191D+01  0.967529D+01  0.922894D+00 -0.383959D+00
      3  -0.397304D+00 -0.406237D+00  0.922894D+00  0.104379D+01 -0.668506D-01
               161           162           163           164           165 
      1  -0.383959D+00 -0.668506D-01  0.367653D+01  0.223317D+01  0.552483D-01
      2   0.965204D+00  0.150242D+00  0.223317D+01  0.241675D+01  0.165764D+00
      3   0.150242D+00  0.112936D+00  0.552483D-01  0.165764D+00  0.422927D+00
               166           167           168           169           170 
      1   0.270400D+01  0.283849D+01  0.251478D+00 -0.300229D-01  0.222300D+00
      2   0.283849D+01  0.567721D+01  0.427203D+00  0.222300D+00  0.504450D+00
      3   0.251478D+00  0.427203D+00  0.883361D+00 -0.520932D-01  0.105871D+00
               171           172           173           174           175 
      1  -0.520932D-01  0.133696D+02 -0.170203D+00  0.263643D+01 -0.132982D+01
      2   0.105871D+00 -0.170203D+00  0.100953D+01  0.141485D+00  0.619195D+00
      3   0.173732D-01  0.263643D+01  0.141485D+00  0.182604D+01  0.263418D+00
               176           177           178           179           180 
      1   0.619195D+00  0.263418D+00  0.101987D+01  0.480266D+00  0.553137D+00
      2  -0.388279D+00  0.486704D+00  0.480266D+00  0.266549D+00 -0.179816D+00
      3   0.486704D+00 -0.592563D+00  0.553137D+00 -0.179816D+00  0.800597D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.239641D+00 -0.971903D-01  0.200696D+01 -0.491584D+00  0.179931D+00
      2   0.425361D+00  0.136253D+01 -0.733844D-01  0.509790D+00  0.145985D+01
      3  -0.371177D+01 -0.135128D+02 -0.140238D+01  0.388916D+01  0.346460D+00
                 6             7             8             9            10 
      1  -0.341337D+01  0.491429D+01  0.668042D+00 -0.517433D+00 -0.796525D+00
      2  -0.556997D+01 -0.844653D+01 -0.964997D+01 -0.215565D+01 -0.362092D+00
      3  -0.104154D+01  0.558844D-02 -0.142754D+01  0.537172D+01  0.279338D+00
                11            12            13            14            15 
      1   0.102968D+00 -0.297159D+01  0.405559D+00 -0.160248D+00 -0.181824D+01
      2   0.128774D+00 -0.130780D+01  0.111896D+01 -0.445361D+00 -0.128577D+01
      3   0.779535D+00  0.365957D+00  0.739317D+00  0.579154D+01 -0.984578D-01
                16            17            18            19            20 
      1  -0.688475D+01  0.320788D+01  0.780286D-02  0.324681D+00 -0.157801D-01
      2  -0.129368D+02 -0.182198D+00 -0.408360D+00  0.569700D+00 -0.348559D+00
      3  -0.111655D+01  0.104997D+00  0.591939D+01 -0.324376D+01  0.665289D+01
                21            22            23            24            25 
      1  -0.124385D+00  0.617819D+00 -0.111348D+01  0.151932D+01  0.106066D+01
      2  -0.282147D+01 -0.671820D+00 -0.751914D+00  0.141440D+01 -0.155494D+02
      3   0.352691D+00  0.153888D+02 -0.754073D+00  0.108527D+01 -0.192890D+00
                26            27            28            29            30 
      1   0.101792D+02  0.111062D+01 -0.100298D+00 -0.170216D+00  0.218905D+01
      2   0.140823D-01 -0.489144D+00 -0.904178D+00  0.293853D+00 -0.955305D+00
      3   0.828653D+00 -0.186824D+01  0.671408D+01 -0.479043D+01 -0.541947D+00
                31            32            33            34            35 
      1  -0.886260D+00  0.173044D+00 -0.258706D+01  0.412452D+01  0.455077D+00
      2   0.140830D+01  0.653701D+00  0.148221D+01 -0.136178D+02  0.205958D+01
      3   0.450352D+01 -0.605985D+01 -0.296585D+00 -0.912331D+00 -0.308162D+00
                36            37            38            39            40 
      1  -0.374115D+00 -0.453500D-01  0.928200D-01 -0.270043D+01  0.795276D+00
      2   0.104258D+01  0.173363D+00  0.885533D+00  0.212455D+01 -0.267754D+00
      3  -0.529054D+01 -0.411386D+01 -0.945621D+01 -0.882651D+00  0.696918D+01
                41            42            43            44            45 
      1  -0.733008D-01 -0.179737D+01 -0.678713D+01  0.409777D+01  0.268142D+00
      2  -0.166946D+01  0.655024D+01 -0.321556D+01  0.102964D+02  0.230297D+01
      3  -0.123902D+01  0.106805D+01  0.524604D+00  0.144036D+01 -0.485144D+01
                46            47            48            49            50 
      1   0.740984D-01  0.729911D-02  0.102572D+01 -0.193834D+00 -0.170287D+01
      2  -0.340779D+00 -0.222294D+00  0.799309D+01 -0.231100D+01  0.174281D+00
      3   0.293097D+01 -0.668492D+01  0.191009D+00  0.122358D+02  0.236424D+01
                51            52            53            54            55 
      1   0.263610D+01  0.220219D+01  0.112186D+02  0.153950D+01 -0.696972D-01
      2  -0.178194D+01  0.801232D+01 -0.241096D+01 -0.712002D+00  0.735229D+00
      3  -0.204488D+00  0.208231D+01 -0.301297D+00  0.128861D+01  0.472011D+01
                56            57            58            59            60 
      1  -0.114942D+01  0.111845D+01  0.402202D+00 -0.692878D+00 -0.523324D+01
      2   0.201592D+01 -0.420083D+01  0.109407D+01  0.599302D+01 -0.610038D+01
      3   0.246429D+01 -0.245326D+01  0.872013D+01 -0.132538D+02 -0.801941D+01
                61            62            63            64            65 
      1  -0.149299D+01 -0.139789D+01  0.101191D+01 -0.160604D+01  0.362539D+01
      2  -0.126931D+02  0.649121D+00 -0.236588D+01  0.162790D+02 -0.916053D+00
      3  -0.403816D-01 -0.560982D+01  0.395286D+01  0.310439D+01 -0.753068D+01
                66            67            68            69            70 
      1  -0.207799D+01  0.496894D+00 -0.938141D+01 -0.831816D+01  0.147087D+00
      2   0.962582D+01  0.427904D+00 -0.564707D+01  0.773166D+00  0.197481D+01
      3   0.996002D+00 -0.425684D+00  0.109425D+02  0.564495D+01 -0.921589D+00
                71            72            73            74            75 
      1   0.997943D+00  0.238722D+01 -0.298591D+01 -0.182607D+01 -0.148295D+01
      2  -0.228580D+01  0.666956D+01 -0.103482D+02  0.487693D+00  0.150994D+02
      3   0.642686D+01  0.125334D+01 -0.114457D+02 -0.580309D+01  0.328040D+01
                76            77            78            79            80 
      1  -0.967984D-01  0.832561D+01 -0.116093D+01 -0.321179D+00  0.359996D+01
      2   0.695265D+00 -0.304265D+01  0.644473D+01  0.601948D+01  0.306501D+01
      3  -0.479320D+00  0.165592D+02  0.455316D+01  0.382290D+01  0.394765D+01
                81            82            83            84            85 
      1  -0.892594D+01  0.215045D+01 -0.296495D+01  0.807518D+00 -0.853324D+00
      2   0.194996D+02  0.253845D+01 -0.130613D+01 -0.125309D+01 -0.303684D+01
      3  -0.412279D+01 -0.318700D+01  0.402419D+01  0.696682D-01  0.363748D+01
                86            87            88            89            90 
      1   0.104736D+02  0.257144D+01  0.520517D+00  0.607198D+01  0.138555D+01
      2   0.644009D+01  0.527917D+01 -0.609983D+00  0.170389D+01  0.396683D+01
      3  -0.102557D+02 -0.641232D+01 -0.104005D+01 -0.658789D+01 -0.236681D+01
                91            92            93            94            95 
      1   0.495010D+00 -0.242344D+00  0.776018D+00  0.385395D-01  0.152184D+01
      2  -0.101632D+01  0.188498D+00  0.232641D+01 -0.480725D+00 -0.286297D+01
      3   0.342925D+01 -0.293690D+01 -0.105903D+00  0.303435D+01  0.138028D+02
                96            97            98            99           100 
      1  -0.264209D+01  0.868445D+00  0.169445D+01 -0.562885D+00 -0.147318D+01
      2  -0.315126D+01 -0.373488D+00 -0.198188D+01 -0.115443D+01  0.281139D+00
      3   0.305094D+01  0.531386D+00  0.291522D+01  0.168264D+01 -0.350872D+01
               101           102           103           104           105 
      1   0.363582D+00  0.611569D+00  0.340209D+00 -0.103014D+02 -0.347756D+01
      2   0.672165D+00 -0.778642D+00  0.117716D+01  0.263002D+00  0.346061D+01
      3   0.924169D+00  0.372833D+00  0.394045D+01 -0.189293D+02 -0.583891D+00
               106           107           108           109           110 
      1   0.240543D+00 -0.177299D+00 -0.987086D+00  0.938942D+00  0.181407D+01
      2  -0.126685D+01  0.131231D+01 -0.764460D+00 -0.425929D+01 -0.441096D+00
      3   0.121795D+01 -0.301810D+01 -0.212878D+01  0.933521D+00  0.978768D+00
               111           112           113           114           115 
      1   0.144817D+01  0.981058D+00  0.448327D+00  0.112256D+01  0.829959D+00
      2  -0.794958D+01 -0.131572D+01 -0.214590D+01 -0.422324D+01 -0.696622D+01
      3  -0.535567D+00  0.157760D+01  0.195196D+00  0.179877D+01 -0.595928D+00
               116           117           118           119           120 
      1   0.469827D+01  0.474632D+01  0.149158D+01 -0.221020D+01 -0.305921D+00
      2  -0.133359D+01 -0.242978D+02  0.994322D+01 -0.125109D+01  0.539251D+01
      3   0.224133D+01  0.241181D+00  0.681151D+01 -0.722147D+01 -0.483687D+00
               121           122           123           124           125 
      1  -0.146885D+01  0.124426D+00 -0.759315D+00 -0.152886D+00  0.399940D+00
      2  -0.140267D+01  0.899907D+00 -0.226903D+01  0.390721D+00 -0.583688D+00
      3  -0.277318D+01  0.110428D+00  0.756349D-01 -0.107036D+01 -0.809612D-01
               126           127           128           129           130 
      1   0.552742D+00  0.292531D-01 -0.162308D+00  0.157108D+01  0.624620D-01
      2  -0.140247D+01  0.686163D+00 -0.418704D+00  0.222739D+00 -0.588283D+00
      3   0.105282D+01 -0.626852D+01  0.368465D+01  0.399783D+00  0.744187D+01
               131           132           133           134           135 
      1   0.360949D+00 -0.443737D+01 -0.449601D+00  0.208575D+01 -0.757836D-01
      2   0.999306D+00 -0.388110D+00 -0.148848D+01  0.164817D+00 -0.964594D-01
      3  -0.912088D+01 -0.968544D+00  0.610099D+00 -0.665799D+00  0.215340D-01
               136           137           138           139           140 
      1   0.715840D-01  0.298572D+00 -0.241753D+01 -0.757439D-01  0.244187D+00
      2   0.301522D-01  0.921226D-01  0.314510D+01  0.400521D+00  0.757408D+00
      3  -0.153003D+01 -0.514692D+01 -0.122572D+00 -0.341504D+01 -0.111236D+02
               141           142           143           144           145 
      1  -0.340764D+01  0.913092D+00  0.157953D+01 -0.217906D+00 -0.316785D-01
      2   0.355260D+01 -0.103552D+01 -0.641200D+00  0.230728D+00 -0.278314D+00
      3  -0.718297D+00 -0.374262D+00 -0.111644D+01 -0.171070D-02  0.840801D+00
               146           147           148           149           150 
      1  -0.875293D-01  0.741994D+00  0.398035D-01 -0.313760D-01 -0.454803D+00
      2  -0.746323D-01  0.653508D+01  0.718877D+00 -0.121246D+00 -0.928332D+00
      3  -0.566817D+01  0.961875D-01 -0.376143D+01  0.170362D+01  0.110353D+00
               151           152           153           154           155 
      1  -0.440010D+00  0.586652D+00  0.131725D-01 -0.415396D-01 -0.912194D-01
      2  -0.289987D+01  0.211803D+00 -0.114616D+00 -0.118516D+00  0.149800D+00
      3  -0.849745D+00  0.251463D+00 -0.977361D-01  0.728283D+00 -0.279573D+01
               156           157           158           159           160 
      1   0.165945D+01  0.125217D+00  0.192673D+00 -0.465680D+01 -0.636253D+00
      2   0.153080D+01  0.227359D+00 -0.120459D+01 -0.304669D+01 -0.660952D+00
      3  -0.139239D+00 -0.110495D+01  0.141761D+02  0.116142D+01 -0.100146D+00
               161           162           163           164           165 
      1   0.190293D+01 -0.306559D+00  0.423077D+00  0.456302D+00 -0.259350D+01
      2   0.417939D+00 -0.261164D+00 -0.113813D+01 -0.305150D+00  0.771480D+00
      3   0.149369D+01  0.192126D+00  0.105984D+02  0.338689D+01 -0.114659D+00
               166           167           168           169           170 
      1   0.894521D-01  0.693737D-01 -0.334491D+01  0.154472D+00  0.204927D+01
      2  -0.588661D+00 -0.582329D+00  0.151236D+01 -0.173146D+01 -0.171302D+00
      3   0.794699D+01  0.518782D+01  0.546097D+00 -0.276019D+00  0.509300D+00
               171           172           173           174           175 
      1  -0.144761D-01  0.911902D+00  0.225622D+01  0.718335D+00  0.521733D-01
      2   0.129240D+00 -0.132763D+02  0.115245D+00  0.457833D+01  0.288528D+01
      3   0.611517D-02 -0.452071D+01 -0.599144D+01 -0.452333D+00 -0.166063D+00
               176           177           178           179           180 
      1   0.234516D+00 -0.345785D+00  0.162844D+01  0.725319D+00  0.688682D-01
      2   0.832927D+00 -0.172477D+01 -0.804413D+00 -0.109249D+01  0.761637D+00
      3  -0.548291D-02 -0.113180D+01 -0.130459D+01 -0.104351D+01 -0.254280D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.104405D+02  0.211388D+02  0.207310D+01 -0.203253D+02  0.115545D+02
      2  -0.102547D+02 -0.135130D+02 -0.351280D+00  0.192049D+02 -0.180885D+02
      3  -0.185776D+00 -0.762583D+01 -0.172182D+01  0.112049D+01  0.653400D+01
      4   0.174647D+02 -0.570047D+01 -0.656452D+00  0.120747D+02  0.471951D+01
      5   0.126898D+01 -0.250930D+00 -0.201814D+01 -0.321432D+00  0.335537D+01
      6  -0.159822D+01 -0.349116D+00 -0.428796D+01  0.257622D+01 -0.536276D+01
                 6             7             8             9            10 
      1   0.178508D+01 -0.212633D+01  0.138829D+01 -0.636768D+01 -0.809046D+00
      2  -0.334135D+01  0.331486D+01 -0.499198D+01 -0.233346D+01 -0.391479D+00
      3   0.155627D+01 -0.118854D+01  0.360369D+01  0.870114D+01  0.120053D+01
      4   0.336221D+01 -0.247947D+00  0.401656D+01 -0.161910D+02 -0.128514D+02
      5  -0.120400D+02  0.135642D+02 -0.163351D+02 -0.433617D+01 -0.409101D+00
      6   0.785089D+01 -0.708540D+01  0.173211D+02  0.173742D+01  0.248280D+00
                11            12            13            14            15 
      1  -0.177549D+02 -0.206536D+01  0.595375D+01  0.345703D+01  0.184371D+01
      2   0.127313D+02 -0.466270D+00 -0.155485D+02 -0.697428D+01 -0.150556D+01
      3   0.502364D+01  0.253163D+01  0.959478D+01  0.351725D+01 -0.338149D+00
      4  -0.111795D+02 -0.835845D+00  0.500486D+01 -0.138331D+02 -0.120270D+01
      5  -0.107223D+01 -0.215613D+01  0.713661D+00 -0.113046D+01  0.781221D+00
      6  -0.636745D-02  0.710780D+01 -0.373507D+01 -0.245941D+01  0.418480D+01
                16            17            18            19            20 
      1   0.600009D+00  0.184295D+01 -0.148748D+02 -0.196178D+02  0.374903D+01
      2  -0.327855D+01 -0.315106D+01  0.209091D+01  0.516140D+01 -0.363840D+01
      3   0.267854D+01  0.130811D+01  0.127839D+02  0.144564D+02 -0.110635D+00
      4   0.106545D+01 -0.115227D+01 -0.252099D+01  0.129225D+01  0.884813D+00
      5   0.592855D+00 -0.133344D+01 -0.217619D+00  0.148253D+01  0.232782D+00
      6   0.665678D+01  0.110532D+02  0.497786D+00 -0.159278D+01 -0.579461D+00
                21            22            23            24            25 
      1   0.157761D+01  0.132856D+01 -0.851555D+01 -0.643231D+00  0.761414D-02
      2  -0.799787D-01  0.357854D+01  0.163301D+02  0.344539D+01  0.170437D+01
      3  -0.149763D+01 -0.490710D+01 -0.781453D+01 -0.280216D+01 -0.171199D+01
      4   0.359468D+00 -0.101041D+02  0.573795D+00 -0.998446D+00 -0.220288D+01
      5  -0.316783D+00 -0.319922D+01 -0.809549D+00  0.261592D+01  0.929258D+01
      6  -0.182165D+01  0.120756D+01  0.223185D+01 -0.352216D+01 -0.156883D+01
                26            27            28            29            30 
      1  -0.110089D+01 -0.540205D+01  0.132810D+02  0.109809D+02  0.818612D+00
      2   0.216943D+01 -0.517100D+01 -0.101678D+02 -0.720348D+01  0.467296D+00
      3  -0.106854D+01  0.105730D+02 -0.311314D+01 -0.377744D+01 -0.128591D+01
      4  -0.874441D+00  0.725344D+00  0.528762D+01 -0.175718D+02 -0.187856D+01
      5   0.562197D+00  0.626640D+00 -0.242980D+00 -0.182001D+01 -0.342817D+01
      6   0.462919D+01 -0.149446D+01 -0.535959D+00 -0.194602D-01 -0.480523D+01
                31            32            33            34            35 
      1  -0.140774D+01  0.903871D+01  0.192381D+01 -0.209367D+00  0.156920D+01
      2   0.975375D+01 -0.157448D+02 -0.305778D+01  0.181465D+01 -0.489297D+01
      3  -0.834601D+01  0.670611D+01  0.113398D+01 -0.160528D+01  0.332377D+01
      4   0.900377D+01  0.149873D+02  0.971030D+00 -0.294714D+00  0.815938D+00
      5   0.852794D+00  0.121076D+01  0.779815D+00  0.491562D+01  0.560978D+01
      6   0.230880D+01 -0.393830D+01  0.633328D+01 -0.254449D+01  0.163428D+02
                36            37            38            39            40 
      1  -0.155283D+02 -0.142924D+01 -0.240503D+02 -0.311215D+01  0.272065D+02
      2   0.335065D+01 -0.743805D+00  0.155098D+02  0.268772D+00 -0.275352D+02
      3   0.121777D+02  0.217304D+01  0.854053D+01  0.284338D+01  0.328735D+00
      4   0.667100D+01 -0.149703D+02  0.329950D+01  0.218936D+00  0.388411D+00
      5   0.114938D+01 -0.856526D+00  0.971751D-01  0.453519D+01 -0.241486D+01
      6   0.226286D+01 -0.218145D+00  0.100378D+01  0.653389D+01 -0.366643D+01
                41            42            43            44            45 
      1   0.513769D+01  0.416621D+00  0.252118D+01  0.683271D+00  0.159297D+01
      2  -0.929215D+01 -0.981826D+00 -0.445647D+01 -0.323360D+01 -0.813440D+01
      3   0.415446D+01  0.565205D+00  0.193528D+01  0.255033D+01  0.654143D+01
      4  -0.115466D+02 -0.432077D+01 -0.175178D+01 -0.450334D+01  0.162800D+02
      5  -0.422009D+01  0.137920D+02  0.203841D+02  0.161883D+02  0.504109D+01
      6  -0.354453D+01  0.426256D+01  0.808242D+01  0.131598D+02  0.496069D+00
                46            47            48            49            50 
      1  -0.124357D+02  0.531268D+01  0.784406D+00 -0.904286D+01 -0.222523D+02
      2   0.792355D+01 -0.357715D+01 -0.145264D+00  0.939710D+01  0.205589D+02
      3   0.451213D+01 -0.173554D+01 -0.639142D+00 -0.354244D+00  0.169345D+01
      4   0.261870D+01  0.220483D+02  0.276100D+00 -0.223992D+02  0.342892D+01
      5   0.105529D+01  0.230617D+00  0.182893D+02 -0.573917D+01  0.824201D+00
      6   0.525021D+00  0.307829D+00 -0.254444D+01  0.131180D+01  0.257766D+01
                51            52            53            54            55 
      1  -0.388922D+01 -0.327754D+00 -0.392828D+01  0.150529D+02  0.127308D+02
      2   0.515543D+01  0.121941D+01  0.310570D+01 -0.184777D+02 -0.457876D+01
      3  -0.126621D+01 -0.891658D+00  0.822580D+00  0.342478D+01 -0.815202D+01
      4   0.134207D+01 -0.631500D+01  0.132434D+01 -0.406247D+01 -0.501293D+01
      5  -0.327753D+01  0.370320D+02 -0.379385D+01 -0.140428D+01 -0.893695D+00
      6  -0.559345D+01 -0.275228D+01  0.540520D+01 -0.228885D+01  0.270512D+01
                56            57            58            59            60 
      1  -0.348252D+01  0.326095D+01 -0.825917D+01  0.271445D+01  0.756666D+01
      2   0.264234D+01  0.112292D+01  0.114125D+02 -0.119959D+02 -0.808688D+01
      3   0.840184D+00 -0.438387D+01 -0.315332D+01  0.928143D+01  0.520219D+00
      4  -0.950034D+01  0.667484D+01 -0.543127D+01  0.272322D+02  0.140790D+02
      5   0.593415D+01 -0.203829D+02  0.861929D+01  0.135222D+02 -0.143210D+02
      6   0.156403D-01  0.217861D+00  0.484226D+01 -0.670457D+01  0.128898D+01
                61            62            63            64            65 
      1   0.190909D+01  0.181549D+01 -0.734909D+01 -0.431390D+02  0.213902D+01
      2   0.299128D+01 -0.395304D+01  0.106281D+02  0.200666D+02 -0.886668D-01
      3  -0.490037D+01  0.213755D+01 -0.327905D+01  0.230724D+02 -0.205035D+01
      4   0.684646D+01  0.103699D+02 -0.408999D+01  0.371925D+01  0.123063D+02
      5  -0.371848D+02 -0.506763D+01  0.472717D+01 -0.176718D+02 -0.483290D+01
      6  -0.346759D+01 -0.107562D+02  0.577280D+01 -0.204459D+01  0.590752D+01
                66            67            68            69            70 
      1  -0.670124D+01 -0.373201D+00  0.623904D+01  0.383387D+00 -0.365813D+01
      2   0.500630D+00  0.144156D+01  0.379935D+01 -0.117116D+01 -0.653194D+01
      3   0.620061D+01 -0.106836D+01 -0.100384D+02  0.787771D+00  0.101901D+02
      4  -0.534191D+01  0.106337D+02 -0.183562D+02 -0.530143D+01 -0.642608D+01
      5   0.120041D+02 -0.654430D+01 -0.252767D+01 -0.268689D+01  0.238408D+02
      6  -0.262761D+01  0.322347D+01 -0.149742D+02 -0.144361D+01 -0.117140D+01
                71            72            73            74            75 
      1  -0.163940D+00 -0.850865D+01 -0.530773D+02  0.806239D+01  0.125571D+02
      2   0.160211D+01 -0.171585D+02  0.296334D+02 -0.260610D+01  0.220967D+01
      3  -0.143817D+01  0.256672D+02  0.234439D+02 -0.545629D+01 -0.147668D+02
      4  -0.970256D+01 -0.467199D+01  0.954043D+01  0.835310D+01 -0.395625D+01
      5  -0.441734D+01  0.191543D+02  0.160459D+02 -0.666522D+01  0.202743D+02
      6   0.387164D+01 -0.498964D+01 -0.657304D+01 -0.336958D+01  0.235095D+01
                76            77            78            79            80 
      1   0.145124D+02  0.714928D+01  0.675966D+00  0.173395D+01  0.172411D+01
      2  -0.102428D+02 -0.149744D+02  0.535876D+01  0.534020D+01 -0.195733D+00
      3  -0.426964D+01  0.782509D+01 -0.603472D+01 -0.707415D+01 -0.152838D+01
      4   0.578213D+01 -0.240691D+02 -0.906070D+01 -0.773181D+01 -0.815843D+01
      5  -0.113140D+02 -0.109815D+02  0.159343D+02  0.213767D+02  0.920550D+01
      6  -0.361772D+01  0.764614D+01  0.515172D+01  0.374340D+01  0.595951D+01
                81            82            83            84            85 
      1   0.251254D+02 -0.123163D+01  0.226365D+01  0.303685D+01  0.835784D+01
      2  -0.114576D+00  0.162249D+01 -0.140648D+01 -0.323880D+00 -0.528425D+01
      3  -0.250108D+02 -0.390856D+00 -0.857172D+00 -0.271297D+01 -0.307360D+01
      4   0.118294D+02  0.137291D+01 -0.510280D+01 -0.175118D+00  0.220673D+01
      5   0.521815D+01 -0.183816D+00  0.833572D+00 -0.231233D+01  0.569127D+01
      6  -0.102878D+02  0.185171D+01 -0.369932D+01 -0.130394D+00  0.939351D-01
                86            87            88            89            90 
      1  -0.958561D+01 -0.483045D+01  0.301696D+01 -0.194491D+01 -0.457612D+01
      2   0.509185D+01 -0.346357D+00 -0.177132D+01 -0.265472D+00 -0.149934D+01
      3   0.449376D+01  0.517680D+01 -0.124564D+01  0.221038D+01  0.607546D+01
      4   0.182678D+02  0.108027D+02  0.166343D+01  0.122916D+02  0.348865D+01
      5   0.852170D+01  0.922314D+01  0.424298D+01  0.358265D+01  0.806819D+01
      6   0.147622D+02  0.114116D+02  0.424404D+00  0.110714D+02  0.326458D+01
                91            92            93            94            95 
      1   0.281099D+01 -0.316002D+01 -0.873650D+00 -0.303861D+01 -0.111780D+02
      2   0.263009D+01 -0.281056D+00  0.175723D+00 -0.233520D+01  0.254067D+02
      3  -0.544108D+01  0.344107D+01  0.697927D+00  0.537381D+01 -0.142288D+02
      4  -0.713049D+01  0.113357D+02  0.145939D+01  0.125518D+02 -0.303838D+02
      5  -0.189805D+01  0.131299D+01  0.606494D+01  0.130346D+01 -0.566768D+01
      6   0.183904D+01 -0.122312D+01 -0.279571D-01 -0.139151D+01  0.798292D+01
                96            97            98            99           100 
      1  -0.242175D+01 -0.522276D+00 -0.204903D+01 -0.273370D+01  0.457353D+01
      2   0.464012D+01 -0.810709D-01  0.285956D+01  0.215152D+01 -0.114644D+00
      3  -0.221837D+01  0.603347D+00 -0.810531D+00  0.582178D+00 -0.445889D+01
      4  -0.629937D+01  0.152983D+01 -0.568989D+01 -0.482179D+01  0.230756D+01
      5  -0.671245D+01  0.596700D+01 -0.416647D+01 -0.358205D+01 -0.928563D+00
      6   0.597714D+01 -0.915917D+00  0.868094D+01  0.296165D+01 -0.116965D+00
               101           102           103           104           105 
      1   0.324340D+01 -0.221508D+01  0.712317D+01 -0.109102D+02  0.148902D+01
      2  -0.177050D+01 -0.127342D+00 -0.289017D+01  0.237534D+02  0.188205D+01
      3  -0.147290D+01  0.234242D+01 -0.423300D+01 -0.128432D+02 -0.337107D+01
      4   0.225876D+01  0.737895D+00  0.858976D+01  0.331219D+02 -0.950231D+00
      5  -0.199460D+00 -0.172769D+01 -0.476419D+01 -0.916025D-02  0.762016D+01
      6   0.395310D+00 -0.113062D+01 -0.174988D+01 -0.141536D+02  0.518179D+01
               106           107           108           109           110 
      1   0.219639D+01  0.119268D+01 -0.439573D+01 -0.176119D+01 -0.164334D+01
      2  -0.136551D+01  0.200936D+01  0.183001D+01 -0.251551D+01  0.254106D+00
      3  -0.830880D+00 -0.320204D+01  0.256572D+01  0.427670D+01  0.138924D+01
      4   0.282771D+01  0.502417D+01  0.237489D+01 -0.169848D+01 -0.184966D+01
      5  -0.717101D+00  0.281737D+01  0.585766D-01 -0.538320D+00  0.911179D+00
      6  -0.701603D-02  0.361166D+01  0.607384D+00  0.838624D+00  0.266171D+01
               111           112           113           114           115 
      1  -0.120645D+02 -0.331530D+01 -0.507466D+01 -0.369431D+01 -0.976543D+01
      2  -0.236271D+01  0.201878D+01  0.140255D+01 -0.230302D+01  0.313659D+01
      3   0.144272D+02  0.129652D+01  0.367211D+01  0.599734D+01  0.662883D+01
      4  -0.608129D+00  0.596916D+00 -0.513796D+00 -0.353131D+01 -0.183386D+01
      5  -0.434171D+01  0.267708D+01 -0.241214D+01 -0.649522D+01  0.651365D+01
      6   0.270579D+00  0.817312D+00  0.149357D+01  0.775066D+01 -0.220192D+00
               116           117           118           119           120 
      1  -0.124111D+01 -0.301094D+02  0.809245D+02 -0.577241D+01 -0.835527D+01
      2  -0.147034D+01 -0.168702D+02 -0.452274D+02  0.341832D+01  0.819667D+01
      3   0.271145D+01  0.469796D+02 -0.356971D+02  0.235410D+01  0.158599D+00
      4  -0.495776D+01 -0.316374D+01 -0.149550D+01  0.109600D+02 -0.677862D-01
      5  -0.107136D+01 -0.336774D+02 -0.315675D+02  0.150803D+01  0.158718D+02
      6   0.685213D+01 -0.260207D+00  0.215301D+01 -0.370121D+01  0.402229D+00
               121           122           123           124           125 
      1  -0.131289D+02  0.622799D+01  0.630357D+00  0.497584D+00  0.235274D+00
      2   0.718196D+01 -0.107476D+01 -0.201667D+01  0.238395D+01 -0.493696D+00
      3   0.594691D+01 -0.515323D+01  0.138631D+01 -0.288153D+01  0.258422D+00
      4   0.105597D+02 -0.168066D+01 -0.101506D+01  0.991291D+00  0.553369D+00
      5   0.607168D+01 -0.225984D+01 -0.539875D+01  0.109688D+02 -0.158368D+01
      6  -0.319929D+01  0.655953D+00  0.127505D+01  0.207724D+00  0.798652D+00
               126           127           128           129           130 
      1   0.391162D+01 -0.522809D+01  0.904532D+01  0.931861D+00  0.765069D+01
      2  -0.532388D+01  0.695466D+01 -0.114335D+02 -0.724748D+00 -0.953615D+01
      3   0.141227D+01 -0.172657D+01  0.238814D+01 -0.207113D+00  0.188546D+01
      4  -0.157554D+01 -0.379301D+01  0.712638D+01  0.595093D+00  0.555095D+01
      5  -0.548599D+01 -0.334786D+00  0.623827D+00  0.123376D+01  0.527767D+00
      6   0.498438D+00  0.947207D+00 -0.125332D+01 -0.196612D+01 -0.119422D+01
               131           132           133           134           135 
      1  -0.344924D+02 -0.306540D+01  0.759763D+00 -0.284201D+01 -0.158486D+01
      2   0.472111D+02  0.287055D+01 -0.108399D+01  0.371430D+01  0.226170D+01
      3  -0.127187D+02  0.194853D+00  0.324224D+00 -0.872298D+00 -0.676843D+00
      4   0.146320D+01  0.269483D+00  0.491493D+00  0.136714D+00 -0.118140D+01
      5   0.295174D+00 -0.479737D-01  0.691747D+00 -0.527964D+00 -0.268447D+00
      6   0.516304D+01  0.722836D+01 -0.284775D+00  0.250104D+01  0.927830D+00
               136           137           138           139           140 
      1   0.228857D+02  0.137978D+02  0.125923D+01  0.985683D+01  0.351606D+01
      2  -0.447012D+01  0.112384D+01 -0.521402D+00  0.609793D+01  0.169447D+02
      3  -0.184156D+02 -0.149216D+02 -0.737829D+00 -0.159548D+02 -0.204608D+02
      4   0.335719D+02  0.306830D+02  0.220308D+01  0.342275D+02  0.442487D+02
      5   0.344669D+01  0.248191D+01  0.626436D+01  0.340078D+01  0.390790D+01
      6   0.144469D+01  0.127333D+01  0.324945D+01  0.217420D+01  0.305313D+01
               141           142           143           144           145 
      1   0.331054D+00  0.869384D+00  0.165886D+00 -0.822404D-02  0.979601D+02
      2   0.389953D+00  0.451663D+00  0.134465D+01  0.851763D+00 -0.550315D+02
      3  -0.721007D+00 -0.132105D+01 -0.151054D+01 -0.843539D+00 -0.429286D+02
      4   0.346929D+01  0.319268D+01  0.383115D+01  0.209782D+01 -0.160753D+02
      5   0.556019D+01  0.177725D+01  0.159360D+01  0.775289D+00 -0.184369D+01
      6   0.586906D+01  0.125358D+01  0.196118D+01  0.886674D+00 -0.110797D+01
               146           147           148           149           150 
      1  -0.979708D+01 -0.158259D+01 -0.923194D+01  0.984980D+01  0.802359D+00
      2   0.473789D+01  0.103573D+01  0.392095D+01 -0.437141D+01 -0.693216D+00
      3   0.505919D+01  0.546858D+00  0.531098D+01 -0.547839D+01 -0.109143D+00
      4   0.108471D+02  0.934015D-01  0.165154D+02 -0.530114D+01 -0.469221D+00
      5   0.100407D-01  0.107120D+02  0.156522D+01 -0.394904D+00 -0.134992D+01
      6   0.326056D-01 -0.988455D+00 -0.160740D+00 -0.955113D-01  0.173407D+01
               151           152           153           154           155 
      1  -0.148822D+01  0.850013D+00  0.250944D+01  0.524538D+01 -0.414308D+01
      2   0.771377D+00 -0.468549D+00 -0.148733D+01  0.377760D+01 -0.598840D+01
      3   0.716840D+00 -0.381464D+00 -0.102211D+01 -0.902298D+01  0.101315D+02
      4   0.163134D+01 -0.584580D+00 -0.472947D+00 -0.181621D+02  0.233070D+02
      5   0.174998D+01 -0.281684D+00 -0.372992D+00 -0.177849D+01  0.193925D+01
      6  -0.111261D+00  0.687200D+00  0.186251D+00  0.134172D+01 -0.146965D+01
               156           157           158           159           160 
      1  -0.478905D+00  0.584619D+00 -0.171385D+02 -0.165623D+01  0.137400D-01
      2  -0.188734D+00 -0.118898D+02  0.409452D+02  0.265559D+01 -0.967713D+00
      3   0.667640D+00  0.113052D+02 -0.238068D+02 -0.999356D+00  0.953973D+00
      4   0.210885D+01  0.247458D+02 -0.481123D+02 -0.445555D+01  0.241979D+01
      5   0.385941D+01  0.230492D+01 -0.411830D+01 -0.509438D+01  0.131476D+01
      6  -0.232929D+01 -0.230519D+01  0.568327D+01  0.776017D+01 -0.123554D+01
               161           162           163           164           165 
      1  -0.161565D+01 -0.122369D+01 -0.404500D+01 -0.694790D+01 -0.859116D+00
      2   0.358073D+01  0.204716D+01  0.557136D+01  0.972777D+01  0.689241D+00
      3  -0.196508D+01 -0.823468D+00 -0.152636D+01 -0.277987D+01  0.169875D+00
      4  -0.481848D+01 -0.188835D+01  0.868211D+01  0.807500D+01  0.431180D+00
      5  -0.114393D+01 -0.767041D+00 -0.942961D-01  0.360080D+00  0.220519D+01
      6   0.255108D+01  0.130990D+01  0.566574D+00  0.111290D+01  0.228845D+01
               166           167           168           169           170 
      1  -0.801830D+01 -0.203922D+02 -0.209159D+01 -0.749328D+00 -0.166436D+01
      2   0.108509D+02  0.274435D+02  0.159868D+01  0.122694D+01  0.218217D+01
      3  -0.283262D+01 -0.705135D+01  0.492912D+00 -0.477612D+00 -0.517805D+00
      4   0.855468D+01  0.840420D+01  0.475309D+00  0.672385D+00  0.698988D+00
      5   0.488528D+00  0.485486D+00  0.174174D+01  0.941261D+00  0.539621D+00
      6   0.128913D+01  0.273751D+01  0.513467D+01  0.353545D+00  0.168409D+01
               171           172           173           174           175 
      1  -0.404586D+00  0.729823D+02 -0.180877D+01  0.109933D+02 -0.701936D+01
      2   0.102357D+01 -0.403758D+02  0.775013D+00 -0.886763D+01  0.157587D+01
      3  -0.618986D+00 -0.326065D+02  0.103375D+01 -0.212568D+01  0.544349D+01
      4   0.187270D+01 -0.378851D+01  0.870718D+01  0.578684D+00  0.674338D+01
      5   0.139902D+00  0.351811D+02  0.582027D+00  0.153794D+02  0.806842D-01
      6   0.566888D+00 -0.673334D+00  0.295998D+01  0.238527D+00  0.414217D+00
               176           177           178           179           180 
      1   0.179651D+01  0.296625D+01  0.522859D+01  0.360509D+01  0.153452D+01
      2  -0.654641D+00 -0.153686D+01 -0.431131D+01 -0.929487D+00 -0.300510D+01
      3  -0.114187D+01 -0.142939D+01 -0.917279D+00 -0.267561D+01  0.147058D+01
      4  -0.177136D+01  0.207259D+01  0.347221D+01  0.137895D+01 -0.699667D+00
      5   0.240853D+01 -0.624277D+00  0.853116D+01  0.502955D+00  0.439221D+01
      6  -0.537522D+00  0.217449D+01  0.152233D+01  0.190177D+01 -0.438674D+00
 Leave Link  716 at Mon Aug 16 21:47:43 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.135796D+03  0.879471D+00 -0.761137D+00
      2   0.879471D+00  0.109287D+03  0.221688D+01
      3  -0.761137D+00  0.221688D+01  0.800100D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.145108D+01 -0.156679D+01 -0.135224D+01
      2   0.207012D+01 -0.829753D+01  0.199692D+02
      3  -0.482034D+01  0.344717D+02  0.730877D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.626477D+02  0.240489D+01  0.341987D+01
      2   0.129024D+02  0.381330D+01  0.495349D+01
      3   0.497454D+02 -0.621819D+01 -0.837337D+01
      4   0.995759D+01 -0.717228D+02 -0.184742D+02
      5  -0.915439D+01 -0.176323D+02  0.536102D+02
      6  -0.567960D+01 -0.536744D+01  0.190457D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.343979D+01 -0.676939D+00 -0.193355D+00  0.504598D+01 -0.310532D+00
      2  -0.676939D+00 -0.195762D+01 -0.459936D-01 -0.310532D+00  0.121586D+01
      3  -0.193355D+00 -0.459936D-01 -0.926239D+00  0.168388D+00 -0.552240D+00
                 6             7             8             9            10 
      1   0.168388D+00  0.649969D+00  0.216791D+00 -0.192003D+01 -0.269447D+01
      2  -0.552240D+00  0.216791D+00 -0.653410D+00  0.412658D+01 -0.686092D+00
      3   0.237996D+01 -0.192003D+01  0.412658D+01  0.123947D+01  0.121936D+00
                11            12            13            14            15 
      1  -0.686092D+00  0.121936D+00  0.761529D+01  0.186757D+00 -0.100353D+00
      2   0.355245D+01  0.203171D+00  0.186757D+00  0.994725D+00 -0.269775D+00
      3   0.203171D+00  0.188429D+01 -0.100353D+00 -0.269775D+00  0.130845D+01
                16            17            18            19            20 
      1   0.805880D+00 -0.805400D-01  0.175146D+01  0.158915D+02 -0.143323D+01
      2  -0.805400D-01 -0.561641D+00  0.315744D+01 -0.143323D+01  0.244714D+01
      3   0.175146D+01  0.315744D+01  0.809678D+00 -0.852435D-02  0.232160D+00
                21            22            23            24            25 
      1  -0.852435D-02 -0.268834D+01 -0.144584D+01 -0.840364D+00 -0.418631D+00
      2   0.232160D+00 -0.144584D+01 -0.819892D+00 -0.196730D+00 -0.624269D+00
      3   0.175336D+01 -0.840364D+00 -0.196730D+00  0.429587D+00  0.426486D+01
                26            27            28            29            30 
      1  -0.624269D+00  0.426486D+01 -0.414281D+01  0.249032D+01  0.203516D+00
      2  -0.490924D-01 -0.301296D+00  0.249032D+01  0.254340D+01  0.643894D-01
      3  -0.301296D+00  0.342965D-02  0.203516D+00  0.643894D-01  0.139770D+01
                31            32            33            34            35 
      1  -0.602528D+01  0.480542D-01 -0.344924D-01 -0.678213D+00 -0.197438D+00
      2   0.480542D-01 -0.138318D+01  0.329625D+00 -0.197438D+00  0.549887D+00
      3  -0.344924D-01  0.329625D+00 -0.204950D+01  0.121884D+01 -0.388873D+01
                36            37            38            39            40 
      1   0.121884D+01  0.170867D+01 -0.537513D+00 -0.825154D-02 -0.551153D+01
      2  -0.388873D+01 -0.537513D+00 -0.341778D+01 -0.347979D+00  0.718994D+00
      3  -0.114632D+01 -0.825154D-02 -0.347979D+00 -0.151582D+01  0.293886D+00
                41            42            43            44            45 
      1   0.718994D+00  0.293886D+00 -0.779248D+00  0.344769D+00 -0.312962D+01
      2  -0.240569D+00  0.593992D+00  0.344769D+00  0.703734D+00 -0.353207D+01
      3   0.593992D+00 -0.202982D+01 -0.312962D+01 -0.353207D+01 -0.941152D+00
                46            47            48            49            50 
      1  -0.534183D+01  0.172564D+00  0.403257D-02  0.847955D+00  0.102620D+01
      2   0.172564D+00 -0.320431D+01 -0.541289D-01  0.102620D+01 -0.424201D+00
      3   0.403257D-02 -0.541289D-01 -0.285007D+01  0.798399D+00 -0.218734D+00
                51            52            53            54            55 
      1   0.798399D+00  0.664389D-01  0.672519D+00 -0.549476D+01 -0.222271D+01
      2  -0.218734D+00  0.672519D+00 -0.132332D+00  0.662360D+00 -0.414769D+00
      3   0.436048D+00 -0.549476D+01  0.662360D+00  0.274752D+00  0.223056D+00
                56            57            58            59            60 
      1  -0.414769D+00  0.223056D+00 -0.176593D+01 -0.111225D+01  0.139512D+01
      2  -0.707072D+00  0.138150D+01 -0.111225D+01  0.599063D+01  0.286261D+01
      3   0.138150D+01 -0.414727D+01  0.139512D+01  0.286261D+01 -0.294969D+01
                61            62            63            64            65 
      1  -0.535730D+00  0.105359D+01 -0.552760D+01 -0.813941D+01 -0.459752D-01
      2   0.105359D+01  0.210917D+01 -0.485969D+00 -0.459752D-01  0.967903D+00
      3  -0.552760D+01 -0.485969D+00  0.483905D+00 -0.125700D+00 -0.678703D+00
                66            67            68            69            70 
      1  -0.125700D+00  0.929665D-01  0.117900D+01 -0.105730D+01  0.272977D+01
      2  -0.678703D+00  0.117900D+01 -0.391099D+01 -0.118387D+01 -0.935835D+00
      3   0.127776D+01 -0.105730D+01 -0.118387D+01 -0.158601D+00  0.316156D+01
                71            72            73            74            75 
      1  -0.935835D+00  0.316156D+01 -0.883267D+01  0.181743D+01  0.319312D+00
      2  -0.208126D+01 -0.107231D+01  0.181743D+01  0.946464D+00 -0.832837D+00
      3  -0.107231D+01  0.360681D+01  0.319312D+00 -0.832837D+00  0.468366D+01
                76            77            78            79            80 
      1   0.413563D+01  0.741365D+00 -0.113980D+01 -0.232818D+01 -0.118348D+01
      2   0.741365D+00 -0.485466D+01 -0.170191D+01 -0.118348D+01 -0.156797D+01
      3  -0.113980D+01 -0.170191D+01  0.337294D+01  0.395324D+01  0.175867D+01
                81            82            83            84            85 
      1   0.395324D+01 -0.788674D+00  0.460619D+00 -0.956179D-01  0.218969D+01
      2   0.175867D+01  0.460619D+00 -0.115645D+01 -0.201406D+00  0.382519D-01
      3   0.402612D+01 -0.956179D-01 -0.201406D+00 -0.916352D+00  0.449548D+00
                86            87            88            89            90 
      1   0.382519D-01  0.449548D+00  0.763447D+00  0.269468D+00  0.340465D+00
      2   0.406295D+01  0.235502D+01  0.269468D+00  0.264352D+01  0.910886D+00
      3   0.235502D+01  0.225826D+01  0.340465D+00  0.910886D+00  0.221617D+01
                91            92            93            94            95 
      1   0.615226D-01 -0.116292D+01 -0.381211D+00 -0.263333D+01  0.173406D+01
      2  -0.116292D+01  0.122962D+01  0.111320D+00  0.173406D+01 -0.693920D+01
      3  -0.381211D+00  0.111320D+00  0.923464D+00  0.761611D-01 -0.137954D+01
                96            97            98            99           100 
      1   0.761611D-01 -0.477427D+00  0.162516D+00  0.914115D+00  0.391337D+00
      2  -0.137954D+01  0.162516D+00 -0.128417D+01 -0.119717D+01  0.571528D+00
      3  -0.155710D+01  0.914115D+00 -0.119717D+01 -0.847891D+00  0.157939D+00
               101           102           103           104           105 
      1   0.571528D+00  0.157939D+00  0.214144D+01  0.697062D+00 -0.410247D+00
      2  -0.101737D+00  0.176225D+00  0.697062D+00  0.661708D+01 -0.236258D+00
      3   0.176225D+00 -0.614043D+00 -0.410247D+00 -0.236258D+00  0.156655D+01
               106           107           108           109           110 
      1   0.852021D+00  0.300853D+00 -0.348821D+00 -0.232775D+00 -0.323869D+00
      2   0.300853D+00  0.873036D+00  0.619248D+00 -0.323869D+00 -0.510226D+00
      3  -0.348821D+00  0.619248D+00 -0.268711D+00 -0.925202D+00  0.579293D-01
               111           112           113           114           115 
      1  -0.925202D+00 -0.822914D+00 -0.120058D+00  0.162058D+00 -0.163805D+01
      2   0.579293D-01 -0.120058D+00 -0.153192D+00 -0.938095D+00 -0.127149D+00
      3  -0.287124D+01  0.162058D+00 -0.938095D+00 -0.171409D+01 -0.430532D+00
               116           117           118           119           120 
      1  -0.127149D+00 -0.430532D+00  0.125362D+02 -0.700267D+00 -0.197658D+01
      2  -0.113719D+01 -0.315820D+00 -0.700267D+00  0.112039D+01 -0.232823D-01
      3  -0.315820D+00 -0.944733D+01 -0.197658D+01 -0.232823D-01  0.151532D+01
               121           122           123           124           125 
      1  -0.231909D+01  0.114527D+01  0.515874D+00 -0.771186D-01  0.211267D+00
      2   0.114527D+01 -0.692764D-01 -0.984012D-01  0.211267D+00  0.189264D+00
      3   0.515874D+00 -0.984012D-01 -0.893210D+00  0.943172D+00 -0.238716D+00
               126           127           128           129           130 
      1   0.943172D+00  0.160376D+01 -0.176007D+01 -0.158284D+00 -0.168026D+01
      2  -0.238716D+00 -0.176007D+01  0.227248D+01  0.205407D+00  0.200562D+01
      3  -0.822021D+00 -0.158284D+00  0.205407D+00  0.211960D+00  0.216369D+00
               131           132           133           134           135 
      1   0.200562D+01  0.216369D+00 -0.592101D-01  0.213284D+00 -0.396740D-01
      2  -0.896029D+01 -0.712368D+00  0.213284D+00 -0.744810D+00 -0.204661D+00
      3  -0.712368D+00 -0.102073D+01 -0.396740D-01 -0.204661D+00 -0.731282D-01
               136           137           138           139           140 
      1  -0.504438D+01 -0.385998D+01 -0.358235D+00 -0.385253D+01 -0.446142D+01
      2  -0.385998D+01 -0.359639D+01 -0.268748D+00 -0.446142D+01 -0.663196D+01
      3  -0.358235D+00 -0.268748D+00 -0.645942D+00 -0.412667D+00 -0.537268D+00
               141           142           143           144           145 
      1  -0.412667D+00 -0.327443D+00 -0.415447D+00 -0.106903D+00 -0.130223D+02
      2  -0.537268D+00 -0.415447D+00 -0.642964D+00 -0.927338D-01  0.146082D+01
      3  -0.870726D+00 -0.106903D+00 -0.927338D-01 -0.765981D-01  0.234480D+00
               146           147           148           149           150 
      1   0.146082D+01  0.234480D+00  0.148086D+01 -0.173631D+01 -0.189236D+00
      2  -0.102898D+01 -0.123929D-01 -0.173631D+01  0.541935D+00  0.471455D-01
      3  -0.123929D-01 -0.101220D+01 -0.189236D+00  0.471455D-01  0.157079D+00
               151           152           153           154           155 
      1   0.188542D+00 -0.199498D+00  0.160525D-01 -0.221683D+01  0.256537D+01
      2  -0.199498D+00  0.500203D-01  0.179933D-01  0.256537D+01 -0.282557D+01
      3   0.160525D-01  0.179933D-01  0.319213D-01  0.275009D+00 -0.273882D+00
               156           157           158           159           160 
      1   0.275009D+00  0.237522D+01 -0.379191D+01 -0.406237D+00  0.273343D+00
      2  -0.273882D+00 -0.379191D+01  0.967529D+01  0.922894D+00 -0.383959D+00
      3  -0.397304D+00 -0.406237D+00  0.922894D+00  0.104379D+01 -0.668506D-01
               161           162           163           164           165 
      1  -0.383959D+00 -0.668506D-01  0.367653D+01  0.223317D+01  0.552483D-01
      2   0.965204D+00  0.150242D+00  0.223317D+01  0.241675D+01  0.165764D+00
      3   0.150242D+00  0.112936D+00  0.552483D-01  0.165764D+00  0.422927D+00
               166           167           168           169           170 
      1   0.270400D+01  0.283849D+01  0.251478D+00 -0.300229D-01  0.222300D+00
      2   0.283849D+01  0.567721D+01  0.427203D+00  0.222300D+00  0.504450D+00
      3   0.251478D+00  0.427203D+00  0.883361D+00 -0.520932D-01  0.105871D+00
               171           172           173           174           175 
      1  -0.520932D-01  0.133696D+02 -0.170203D+00  0.263643D+01 -0.132982D+01
      2   0.105871D+00 -0.170203D+00  0.100953D+01  0.141485D+00  0.619195D+00
      3   0.173732D-01  0.263643D+01  0.141485D+00  0.182604D+01  0.263418D+00
               176           177           178           179           180 
      1   0.619195D+00  0.263418D+00  0.101987D+01  0.480266D+00  0.553137D+00
      2  -0.388279D+00  0.486704D+00  0.480266D+00  0.266549D+00 -0.179816D+00
      3   0.486704D+00 -0.592563D+00  0.553137D+00 -0.179816D+00  0.800597D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.239641D+00 -0.971903D-01  0.200696D+01 -0.491584D+00  0.179931D+00
      2   0.425361D+00  0.136253D+01 -0.733844D-01  0.509790D+00  0.145985D+01
      3  -0.371177D+01 -0.135128D+02 -0.140238D+01  0.388916D+01  0.346460D+00
                 6             7             8             9            10 
      1  -0.341337D+01  0.491429D+01  0.668042D+00 -0.517433D+00 -0.796525D+00
      2  -0.556997D+01 -0.844653D+01 -0.964997D+01 -0.215565D+01 -0.362092D+00
      3  -0.104154D+01  0.558844D-02 -0.142754D+01  0.537172D+01  0.279338D+00
                11            12            13            14            15 
      1   0.102968D+00 -0.297159D+01  0.405559D+00 -0.160248D+00 -0.181824D+01
      2   0.128774D+00 -0.130780D+01  0.111896D+01 -0.445361D+00 -0.128577D+01
      3   0.779535D+00  0.365957D+00  0.739317D+00  0.579154D+01 -0.984578D-01
                16            17            18            19            20 
      1  -0.688475D+01  0.320788D+01  0.780286D-02  0.324681D+00 -0.157801D-01
      2  -0.129368D+02 -0.182198D+00 -0.408360D+00  0.569700D+00 -0.348559D+00
      3  -0.111655D+01  0.104997D+00  0.591939D+01 -0.324376D+01  0.665289D+01
                21            22            23            24            25 
      1  -0.124385D+00  0.617819D+00 -0.111348D+01  0.151932D+01  0.106066D+01
      2  -0.282147D+01 -0.671820D+00 -0.751914D+00  0.141440D+01 -0.155494D+02
      3   0.352691D+00  0.153888D+02 -0.754073D+00  0.108527D+01 -0.192890D+00
                26            27            28            29            30 
      1   0.101792D+02  0.111062D+01 -0.100298D+00 -0.170216D+00  0.218905D+01
      2   0.140823D-01 -0.489144D+00 -0.904178D+00  0.293853D+00 -0.955305D+00
      3   0.828653D+00 -0.186824D+01  0.671408D+01 -0.479043D+01 -0.541947D+00
                31            32            33            34            35 
      1  -0.886260D+00  0.173044D+00 -0.258706D+01  0.412452D+01  0.455077D+00
      2   0.140830D+01  0.653701D+00  0.148221D+01 -0.136178D+02  0.205958D+01
      3   0.450352D+01 -0.605985D+01 -0.296585D+00 -0.912331D+00 -0.308162D+00
                36            37            38            39            40 
      1  -0.374115D+00 -0.453500D-01  0.928200D-01 -0.270043D+01  0.795276D+00
      2   0.104258D+01  0.173363D+00  0.885533D+00  0.212455D+01 -0.267754D+00
      3  -0.529054D+01 -0.411386D+01 -0.945621D+01 -0.882651D+00  0.696918D+01
                41            42            43            44            45 
      1  -0.733008D-01 -0.179737D+01 -0.678713D+01  0.409777D+01  0.268142D+00
      2  -0.166946D+01  0.655024D+01 -0.321556D+01  0.102964D+02  0.230297D+01
      3  -0.123902D+01  0.106805D+01  0.524604D+00  0.144036D+01 -0.485144D+01
                46            47            48            49            50 
      1   0.740984D-01  0.729911D-02  0.102572D+01 -0.193834D+00 -0.170287D+01
      2  -0.340779D+00 -0.222294D+00  0.799309D+01 -0.231100D+01  0.174281D+00
      3   0.293097D+01 -0.668492D+01  0.191009D+00  0.122358D+02  0.236424D+01
                51            52            53            54            55 
      1   0.263610D+01  0.220219D+01  0.112186D+02  0.153950D+01 -0.696972D-01
      2  -0.178194D+01  0.801232D+01 -0.241096D+01 -0.712002D+00  0.735229D+00
      3  -0.204488D+00  0.208231D+01 -0.301297D+00  0.128861D+01  0.472011D+01
                56            57            58            59            60 
      1  -0.114942D+01  0.111845D+01  0.402202D+00 -0.692878D+00 -0.523324D+01
      2   0.201592D+01 -0.420083D+01  0.109407D+01  0.599302D+01 -0.610038D+01
      3   0.246429D+01 -0.245326D+01  0.872013D+01 -0.132538D+02 -0.801941D+01
                61            62            63            64            65 
      1  -0.149299D+01 -0.139789D+01  0.101191D+01 -0.160604D+01  0.362539D+01
      2  -0.126931D+02  0.649121D+00 -0.236588D+01  0.162790D+02 -0.916053D+00
      3  -0.403816D-01 -0.560982D+01  0.395286D+01  0.310439D+01 -0.753068D+01
                66            67            68            69            70 
      1  -0.207799D+01  0.496894D+00 -0.938141D+01 -0.831816D+01  0.147087D+00
      2   0.962582D+01  0.427904D+00 -0.564707D+01  0.773166D+00  0.197481D+01
      3   0.996002D+00 -0.425684D+00  0.109425D+02  0.564495D+01 -0.921589D+00
                71            72            73            74            75 
      1   0.997943D+00  0.238722D+01 -0.298591D+01 -0.182607D+01 -0.148295D+01
      2  -0.228580D+01  0.666956D+01 -0.103482D+02  0.487693D+00  0.150994D+02
      3   0.642686D+01  0.125334D+01 -0.114457D+02 -0.580309D+01  0.328040D+01
                76            77            78            79            80 
      1  -0.967984D-01  0.832561D+01 -0.116093D+01 -0.321179D+00  0.359996D+01
      2   0.695265D+00 -0.304265D+01  0.644473D+01  0.601948D+01  0.306501D+01
      3  -0.479320D+00  0.165592D+02  0.455316D+01  0.382290D+01  0.394765D+01
                81            82            83            84            85 
      1  -0.892594D+01  0.215045D+01 -0.296495D+01  0.807518D+00 -0.853324D+00
      2   0.194996D+02  0.253845D+01 -0.130613D+01 -0.125309D+01 -0.303684D+01
      3  -0.412279D+01 -0.318700D+01  0.402419D+01  0.696682D-01  0.363748D+01
                86            87            88            89            90 
      1   0.104736D+02  0.257144D+01  0.520517D+00  0.607198D+01  0.138555D+01
      2   0.644009D+01  0.527917D+01 -0.609983D+00  0.170389D+01  0.396683D+01
      3  -0.102557D+02 -0.641232D+01 -0.104005D+01 -0.658789D+01 -0.236681D+01
                91            92            93            94            95 
      1   0.495010D+00 -0.242344D+00  0.776018D+00  0.385395D-01  0.152184D+01
      2  -0.101632D+01  0.188498D+00  0.232641D+01 -0.480725D+00 -0.286297D+01
      3   0.342925D+01 -0.293690D+01 -0.105903D+00  0.303435D+01  0.138028D+02
                96            97            98            99           100 
      1  -0.264209D+01  0.868445D+00  0.169445D+01 -0.562885D+00 -0.147318D+01
      2  -0.315126D+01 -0.373488D+00 -0.198188D+01 -0.115443D+01  0.281139D+00
      3   0.305094D+01  0.531386D+00  0.291522D+01  0.168264D+01 -0.350872D+01
               101           102           103           104           105 
      1   0.363582D+00  0.611569D+00  0.340209D+00 -0.103014D+02 -0.347756D+01
      2   0.672165D+00 -0.778642D+00  0.117716D+01  0.263002D+00  0.346061D+01
      3   0.924169D+00  0.372833D+00  0.394045D+01 -0.189293D+02 -0.583891D+00
               106           107           108           109           110 
      1   0.240543D+00 -0.177299D+00 -0.987086D+00  0.938942D+00  0.181407D+01
      2  -0.126685D+01  0.131231D+01 -0.764460D+00 -0.425929D+01 -0.441096D+00
      3   0.121795D+01 -0.301810D+01 -0.212878D+01  0.933521D+00  0.978768D+00
               111           112           113           114           115 
      1   0.144817D+01  0.981058D+00  0.448327D+00  0.112256D+01  0.829959D+00
      2  -0.794958D+01 -0.131572D+01 -0.214590D+01 -0.422324D+01 -0.696622D+01
      3  -0.535567D+00  0.157760D+01  0.195196D+00  0.179877D+01 -0.595928D+00
               116           117           118           119           120 
      1   0.469827D+01  0.474632D+01  0.149158D+01 -0.221020D+01 -0.305921D+00
      2  -0.133359D+01 -0.242978D+02  0.994322D+01 -0.125109D+01  0.539251D+01
      3   0.224133D+01  0.241181D+00  0.681151D+01 -0.722147D+01 -0.483687D+00
               121           122           123           124           125 
      1  -0.146885D+01  0.124426D+00 -0.759315D+00 -0.152886D+00  0.399940D+00
      2  -0.140267D+01  0.899907D+00 -0.226903D+01  0.390721D+00 -0.583688D+00
      3  -0.277318D+01  0.110428D+00  0.756349D-01 -0.107036D+01 -0.809612D-01
               126           127           128           129           130 
      1   0.552742D+00  0.292531D-01 -0.162308D+00  0.157108D+01  0.624620D-01
      2  -0.140247D+01  0.686163D+00 -0.418704D+00  0.222739D+00 -0.588283D+00
      3   0.105282D+01 -0.626852D+01  0.368465D+01  0.399783D+00  0.744187D+01
               131           132           133           134           135 
      1   0.360949D+00 -0.443737D+01 -0.449601D+00  0.208575D+01 -0.757836D-01
      2   0.999306D+00 -0.388110D+00 -0.148848D+01  0.164817D+00 -0.964594D-01
      3  -0.912088D+01 -0.968544D+00  0.610099D+00 -0.665799D+00  0.215340D-01
               136           137           138           139           140 
      1   0.715840D-01  0.298572D+00 -0.241753D+01 -0.757439D-01  0.244187D+00
      2   0.301522D-01  0.921226D-01  0.314510D+01  0.400521D+00  0.757408D+00
      3  -0.153003D+01 -0.514692D+01 -0.122572D+00 -0.341504D+01 -0.111236D+02
               141           142           143           144           145 
      1  -0.340764D+01  0.913092D+00  0.157953D+01 -0.217906D+00 -0.316785D-01
      2   0.355260D+01 -0.103552D+01 -0.641200D+00  0.230728D+00 -0.278314D+00
      3  -0.718297D+00 -0.374262D+00 -0.111644D+01 -0.171070D-02  0.840801D+00
               146           147           148           149           150 
      1  -0.875293D-01  0.741994D+00  0.398035D-01 -0.313760D-01 -0.454803D+00
      2  -0.746323D-01  0.653508D+01  0.718877D+00 -0.121246D+00 -0.928332D+00
      3  -0.566817D+01  0.961875D-01 -0.376143D+01  0.170362D+01  0.110353D+00
               151           152           153           154           155 
      1  -0.440010D+00  0.586652D+00  0.131725D-01 -0.415396D-01 -0.912194D-01
      2  -0.289987D+01  0.211803D+00 -0.114616D+00 -0.118516D+00  0.149800D+00
      3  -0.849745D+00  0.251463D+00 -0.977361D-01  0.728283D+00 -0.279573D+01
               156           157           158           159           160 
      1   0.165945D+01  0.125217D+00  0.192673D+00 -0.465680D+01 -0.636253D+00
      2   0.153080D+01  0.227359D+00 -0.120459D+01 -0.304669D+01 -0.660952D+00
      3  -0.139239D+00 -0.110495D+01  0.141761D+02  0.116142D+01 -0.100146D+00
               161           162           163           164           165 
      1   0.190293D+01 -0.306559D+00  0.423077D+00  0.456302D+00 -0.259350D+01
      2   0.417939D+00 -0.261164D+00 -0.113813D+01 -0.305150D+00  0.771480D+00
      3   0.149369D+01  0.192126D+00  0.105984D+02  0.338689D+01 -0.114659D+00
               166           167           168           169           170 
      1   0.894521D-01  0.693737D-01 -0.334491D+01  0.154472D+00  0.204927D+01
      2  -0.588661D+00 -0.582329D+00  0.151236D+01 -0.173146D+01 -0.171302D+00
      3   0.794699D+01  0.518782D+01  0.546097D+00 -0.276019D+00  0.509300D+00
               171           172           173           174           175 
      1  -0.144761D-01  0.911902D+00  0.225622D+01  0.718335D+00  0.521733D-01
      2   0.129240D+00 -0.132763D+02  0.115245D+00  0.457833D+01  0.288528D+01
      3   0.611517D-02 -0.452071D+01 -0.599144D+01 -0.452333D+00 -0.166063D+00
               176           177           178           179           180 
      1   0.234516D+00 -0.345785D+00  0.162844D+01  0.725319D+00  0.688682D-01
      2   0.832927D+00 -0.172477D+01 -0.804413D+00 -0.109249D+01  0.761637D+00
      3  -0.548291D-02 -0.113180D+01 -0.130459D+01 -0.104351D+01 -0.254280D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.104405D+02  0.211388D+02  0.207310D+01 -0.203253D+02  0.115545D+02
      2  -0.102547D+02 -0.135130D+02 -0.351280D+00  0.192049D+02 -0.180885D+02
      3  -0.185776D+00 -0.762583D+01 -0.172182D+01  0.112049D+01  0.653400D+01
      4   0.174647D+02 -0.570047D+01 -0.656452D+00  0.120747D+02  0.471951D+01
      5   0.126898D+01 -0.250930D+00 -0.201814D+01 -0.321432D+00  0.335537D+01
      6  -0.159822D+01 -0.349116D+00 -0.428796D+01  0.257622D+01 -0.536276D+01
                 6             7             8             9            10 
      1   0.178508D+01 -0.212633D+01  0.138829D+01 -0.636768D+01 -0.809046D+00
      2  -0.334135D+01  0.331486D+01 -0.499198D+01 -0.233346D+01 -0.391479D+00
      3   0.155627D+01 -0.118854D+01  0.360369D+01  0.870114D+01  0.120053D+01
      4   0.336221D+01 -0.247947D+00  0.401656D+01 -0.161910D+02 -0.128514D+02
      5  -0.120400D+02  0.135642D+02 -0.163351D+02 -0.433617D+01 -0.409101D+00
      6   0.785089D+01 -0.708540D+01  0.173211D+02  0.173742D+01  0.248280D+00
                11            12            13            14            15 
      1  -0.177549D+02 -0.206536D+01  0.595375D+01  0.345703D+01  0.184371D+01
      2   0.127313D+02 -0.466270D+00 -0.155485D+02 -0.697428D+01 -0.150556D+01
      3   0.502364D+01  0.253163D+01  0.959478D+01  0.351725D+01 -0.338149D+00
      4  -0.111795D+02 -0.835845D+00  0.500486D+01 -0.138331D+02 -0.120270D+01
      5  -0.107223D+01 -0.215613D+01  0.713661D+00 -0.113046D+01  0.781221D+00
      6  -0.636745D-02  0.710780D+01 -0.373507D+01 -0.245941D+01  0.418480D+01
                16            17            18            19            20 
      1   0.600009D+00  0.184295D+01 -0.148748D+02 -0.196178D+02  0.374903D+01
      2  -0.327855D+01 -0.315106D+01  0.209091D+01  0.516140D+01 -0.363840D+01
      3   0.267854D+01  0.130811D+01  0.127839D+02  0.144564D+02 -0.110635D+00
      4   0.106545D+01 -0.115227D+01 -0.252099D+01  0.129225D+01  0.884813D+00
      5   0.592855D+00 -0.133344D+01 -0.217619D+00  0.148253D+01  0.232782D+00
      6   0.665678D+01  0.110532D+02  0.497786D+00 -0.159278D+01 -0.579461D+00
                21            22            23            24            25 
      1   0.157761D+01  0.132856D+01 -0.851555D+01 -0.643231D+00  0.761414D-02
      2  -0.799787D-01  0.357854D+01  0.163301D+02  0.344539D+01  0.170437D+01
      3  -0.149763D+01 -0.490710D+01 -0.781453D+01 -0.280216D+01 -0.171199D+01
      4   0.359468D+00 -0.101041D+02  0.573795D+00 -0.998446D+00 -0.220288D+01
      5  -0.316783D+00 -0.319922D+01 -0.809549D+00  0.261592D+01  0.929258D+01
      6  -0.182165D+01  0.120756D+01  0.223185D+01 -0.352216D+01 -0.156883D+01
                26            27            28            29            30 
      1  -0.110089D+01 -0.540205D+01  0.132810D+02  0.109809D+02  0.818612D+00
      2   0.216943D+01 -0.517100D+01 -0.101678D+02 -0.720348D+01  0.467296D+00
      3  -0.106854D+01  0.105730D+02 -0.311314D+01 -0.377744D+01 -0.128591D+01
      4  -0.874441D+00  0.725344D+00  0.528762D+01 -0.175718D+02 -0.187856D+01
      5   0.562197D+00  0.626640D+00 -0.242980D+00 -0.182001D+01 -0.342817D+01
      6   0.462919D+01 -0.149446D+01 -0.535959D+00 -0.194602D-01 -0.480523D+01
                31            32            33            34            35 
      1  -0.140774D+01  0.903871D+01  0.192381D+01 -0.209367D+00  0.156920D+01
      2   0.975375D+01 -0.157448D+02 -0.305778D+01  0.181465D+01 -0.489297D+01
      3  -0.834601D+01  0.670611D+01  0.113398D+01 -0.160528D+01  0.332377D+01
      4   0.900377D+01  0.149873D+02  0.971030D+00 -0.294714D+00  0.815938D+00
      5   0.852794D+00  0.121076D+01  0.779815D+00  0.491562D+01  0.560978D+01
      6   0.230880D+01 -0.393830D+01  0.633328D+01 -0.254449D+01  0.163428D+02
                36            37            38            39            40 
      1  -0.155283D+02 -0.142924D+01 -0.240503D+02 -0.311215D+01  0.272065D+02
      2   0.335065D+01 -0.743805D+00  0.155098D+02  0.268772D+00 -0.275352D+02
      3   0.121777D+02  0.217304D+01  0.854053D+01  0.284338D+01  0.328735D+00
      4   0.667100D+01 -0.149703D+02  0.329950D+01  0.218936D+00  0.388411D+00
      5   0.114938D+01 -0.856526D+00  0.971751D-01  0.453519D+01 -0.241486D+01
      6   0.226286D+01 -0.218145D+00  0.100378D+01  0.653389D+01 -0.366643D+01
                41            42            43            44            45 
      1   0.513769D+01  0.416621D+00  0.252118D+01  0.683271D+00  0.159297D+01
      2  -0.929215D+01 -0.981826D+00 -0.445647D+01 -0.323360D+01 -0.813440D+01
      3   0.415446D+01  0.565205D+00  0.193528D+01  0.255033D+01  0.654143D+01
      4  -0.115466D+02 -0.432077D+01 -0.175178D+01 -0.450334D+01  0.162800D+02
      5  -0.422009D+01  0.137920D+02  0.203841D+02  0.161883D+02  0.504109D+01
      6  -0.354453D+01  0.426256D+01  0.808242D+01  0.131598D+02  0.496069D+00
                46            47            48            49            50 
      1  -0.124357D+02  0.531268D+01  0.784406D+00 -0.904286D+01 -0.222523D+02
      2   0.792355D+01 -0.357715D+01 -0.145264D+00  0.939710D+01  0.205589D+02
      3   0.451213D+01 -0.173554D+01 -0.639142D+00 -0.354244D+00  0.169345D+01
      4   0.261870D+01  0.220483D+02  0.276100D+00 -0.223992D+02  0.342892D+01
      5   0.105529D+01  0.230617D+00  0.182893D+02 -0.573917D+01  0.824201D+00
      6   0.525021D+00  0.307829D+00 -0.254444D+01  0.131180D+01  0.257766D+01
                51            52            53            54            55 
      1  -0.388922D+01 -0.327754D+00 -0.392828D+01  0.150529D+02  0.127308D+02
      2   0.515543D+01  0.121941D+01  0.310570D+01 -0.184777D+02 -0.457876D+01
      3  -0.126621D+01 -0.891658D+00  0.822580D+00  0.342478D+01 -0.815202D+01
      4   0.134207D+01 -0.631500D+01  0.132434D+01 -0.406247D+01 -0.501293D+01
      5  -0.327753D+01  0.370320D+02 -0.379385D+01 -0.140428D+01 -0.893695D+00
      6  -0.559345D+01 -0.275228D+01  0.540520D+01 -0.228885D+01  0.270512D+01
                56            57            58            59            60 
      1  -0.348252D+01  0.326095D+01 -0.825917D+01  0.271445D+01  0.756666D+01
      2   0.264234D+01  0.112292D+01  0.114125D+02 -0.119959D+02 -0.808688D+01
      3   0.840184D+00 -0.438387D+01 -0.315332D+01  0.928143D+01  0.520219D+00
      4  -0.950034D+01  0.667484D+01 -0.543127D+01  0.272322D+02  0.140790D+02
      5   0.593415D+01 -0.203829D+02  0.861929D+01  0.135222D+02 -0.143210D+02
      6   0.156403D-01  0.217861D+00  0.484226D+01 -0.670457D+01  0.128898D+01
                61            62            63            64            65 
      1   0.190909D+01  0.181549D+01 -0.734909D+01 -0.431390D+02  0.213902D+01
      2   0.299128D+01 -0.395304D+01  0.106281D+02  0.200666D+02 -0.886668D-01
      3  -0.490037D+01  0.213755D+01 -0.327905D+01  0.230724D+02 -0.205035D+01
      4   0.684646D+01  0.103699D+02 -0.408999D+01  0.371925D+01  0.123063D+02
      5  -0.371848D+02 -0.506763D+01  0.472717D+01 -0.176718D+02 -0.483290D+01
      6  -0.346759D+01 -0.107562D+02  0.577280D+01 -0.204459D+01  0.590752D+01
                66            67            68            69            70 
      1  -0.670124D+01 -0.373201D+00  0.623904D+01  0.383387D+00 -0.365813D+01
      2   0.500630D+00  0.144156D+01  0.379935D+01 -0.117116D+01 -0.653194D+01
      3   0.620061D+01 -0.106836D+01 -0.100384D+02  0.787771D+00  0.101901D+02
      4  -0.534191D+01  0.106337D+02 -0.183562D+02 -0.530143D+01 -0.642608D+01
      5   0.120041D+02 -0.654430D+01 -0.252767D+01 -0.268689D+01  0.238408D+02
      6  -0.262761D+01  0.322347D+01 -0.149742D+02 -0.144361D+01 -0.117140D+01
                71            72            73            74            75 
      1  -0.163940D+00 -0.850865D+01 -0.530773D+02  0.806239D+01  0.125571D+02
      2   0.160211D+01 -0.171585D+02  0.296334D+02 -0.260610D+01  0.220967D+01
      3  -0.143817D+01  0.256672D+02  0.234439D+02 -0.545629D+01 -0.147668D+02
      4  -0.970256D+01 -0.467199D+01  0.954043D+01  0.835310D+01 -0.395625D+01
      5  -0.441734D+01  0.191543D+02  0.160459D+02 -0.666522D+01  0.202743D+02
      6   0.387164D+01 -0.498964D+01 -0.657304D+01 -0.336958D+01  0.235095D+01
                76            77            78            79            80 
      1   0.145124D+02  0.714928D+01  0.675966D+00  0.173395D+01  0.172411D+01
      2  -0.102428D+02 -0.149744D+02  0.535876D+01  0.534020D+01 -0.195733D+00
      3  -0.426964D+01  0.782509D+01 -0.603472D+01 -0.707415D+01 -0.152838D+01
      4   0.578213D+01 -0.240691D+02 -0.906070D+01 -0.773181D+01 -0.815843D+01
      5  -0.113140D+02 -0.109815D+02  0.159343D+02  0.213767D+02  0.920550D+01
      6  -0.361772D+01  0.764614D+01  0.515172D+01  0.374340D+01  0.595951D+01
                81            82            83            84            85 
      1   0.251254D+02 -0.123163D+01  0.226365D+01  0.303685D+01  0.835784D+01
      2  -0.114576D+00  0.162249D+01 -0.140648D+01 -0.323880D+00 -0.528425D+01
      3  -0.250108D+02 -0.390856D+00 -0.857172D+00 -0.271297D+01 -0.307360D+01
      4   0.118294D+02  0.137291D+01 -0.510280D+01 -0.175118D+00  0.220673D+01
      5   0.521815D+01 -0.183816D+00  0.833572D+00 -0.231233D+01  0.569127D+01
      6  -0.102878D+02  0.185171D+01 -0.369932D+01 -0.130394D+00  0.939351D-01
                86            87            88            89            90 
      1  -0.958561D+01 -0.483045D+01  0.301696D+01 -0.194491D+01 -0.457612D+01
      2   0.509185D+01 -0.346357D+00 -0.177132D+01 -0.265472D+00 -0.149934D+01
      3   0.449376D+01  0.517680D+01 -0.124564D+01  0.221038D+01  0.607546D+01
      4   0.182678D+02  0.108027D+02  0.166343D+01  0.122916D+02  0.348865D+01
      5   0.852170D+01  0.922314D+01  0.424298D+01  0.358265D+01  0.806819D+01
      6   0.147622D+02  0.114116D+02  0.424404D+00  0.110714D+02  0.326458D+01
                91            92            93            94            95 
      1   0.281099D+01 -0.316002D+01 -0.873650D+00 -0.303861D+01 -0.111780D+02
      2   0.263009D+01 -0.281056D+00  0.175723D+00 -0.233520D+01  0.254067D+02
      3  -0.544108D+01  0.344107D+01  0.697927D+00  0.537381D+01 -0.142288D+02
      4  -0.713049D+01  0.113357D+02  0.145939D+01  0.125518D+02 -0.303838D+02
      5  -0.189805D+01  0.131299D+01  0.606494D+01  0.130346D+01 -0.566768D+01
      6   0.183904D+01 -0.122312D+01 -0.279571D-01 -0.139151D+01  0.798292D+01
                96            97            98            99           100 
      1  -0.242175D+01 -0.522276D+00 -0.204903D+01 -0.273370D+01  0.457353D+01
      2   0.464012D+01 -0.810709D-01  0.285956D+01  0.215152D+01 -0.114644D+00
      3  -0.221837D+01  0.603347D+00 -0.810531D+00  0.582178D+00 -0.445889D+01
      4  -0.629937D+01  0.152983D+01 -0.568989D+01 -0.482179D+01  0.230756D+01
      5  -0.671245D+01  0.596700D+01 -0.416647D+01 -0.358205D+01 -0.928563D+00
      6   0.597714D+01 -0.915917D+00  0.868094D+01  0.296165D+01 -0.116965D+00
               101           102           103           104           105 
      1   0.324340D+01 -0.221508D+01  0.712317D+01 -0.109102D+02  0.148902D+01
      2  -0.177050D+01 -0.127342D+00 -0.289017D+01  0.237534D+02  0.188205D+01
      3  -0.147290D+01  0.234242D+01 -0.423300D+01 -0.128432D+02 -0.337107D+01
      4   0.225876D+01  0.737895D+00  0.858976D+01  0.331219D+02 -0.950231D+00
      5  -0.199460D+00 -0.172769D+01 -0.476419D+01 -0.916025D-02  0.762016D+01
      6   0.395310D+00 -0.113062D+01 -0.174988D+01 -0.141536D+02  0.518179D+01
               106           107           108           109           110 
      1   0.219639D+01  0.119268D+01 -0.439573D+01 -0.176119D+01 -0.164334D+01
      2  -0.136551D+01  0.200936D+01  0.183001D+01 -0.251551D+01  0.254106D+00
      3  -0.830880D+00 -0.320204D+01  0.256572D+01  0.427670D+01  0.138924D+01
      4   0.282771D+01  0.502417D+01  0.237489D+01 -0.169848D+01 -0.184966D+01
      5  -0.717101D+00  0.281737D+01  0.585766D-01 -0.538320D+00  0.911179D+00
      6  -0.701603D-02  0.361166D+01  0.607384D+00  0.838624D+00  0.266171D+01
               111           112           113           114           115 
      1  -0.120645D+02 -0.331530D+01 -0.507466D+01 -0.369431D+01 -0.976543D+01
      2  -0.236271D+01  0.201878D+01  0.140255D+01 -0.230302D+01  0.313659D+01
      3   0.144272D+02  0.129652D+01  0.367211D+01  0.599734D+01  0.662883D+01
      4  -0.608129D+00  0.596916D+00 -0.513796D+00 -0.353131D+01 -0.183386D+01
      5  -0.434171D+01  0.267708D+01 -0.241214D+01 -0.649522D+01  0.651365D+01
      6   0.270579D+00  0.817312D+00  0.149357D+01  0.775066D+01 -0.220192D+00
               116           117           118           119           120 
      1  -0.124111D+01 -0.301094D+02  0.809245D+02 -0.577241D+01 -0.835527D+01
      2  -0.147034D+01 -0.168702D+02 -0.452274D+02  0.341832D+01  0.819667D+01
      3   0.271145D+01  0.469796D+02 -0.356971D+02  0.235410D+01  0.158599D+00
      4  -0.495776D+01 -0.316374D+01 -0.149550D+01  0.109600D+02 -0.677862D-01
      5  -0.107136D+01 -0.336774D+02 -0.315675D+02  0.150803D+01  0.158718D+02
      6   0.685213D+01 -0.260207D+00  0.215301D+01 -0.370121D+01  0.402229D+00
               121           122           123           124           125 
      1  -0.131289D+02  0.622799D+01  0.630357D+00  0.497584D+00  0.235274D+00
      2   0.718196D+01 -0.107476D+01 -0.201667D+01  0.238395D+01 -0.493696D+00
      3   0.594691D+01 -0.515323D+01  0.138631D+01 -0.288153D+01  0.258422D+00
      4   0.105597D+02 -0.168066D+01 -0.101506D+01  0.991291D+00  0.553369D+00
      5   0.607168D+01 -0.225984D+01 -0.539875D+01  0.109688D+02 -0.158368D+01
      6  -0.319929D+01  0.655953D+00  0.127505D+01  0.207724D+00  0.798652D+00
               126           127           128           129           130 
      1   0.391162D+01 -0.522809D+01  0.904532D+01  0.931861D+00  0.765069D+01
      2  -0.532388D+01  0.695466D+01 -0.114335D+02 -0.724748D+00 -0.953615D+01
      3   0.141227D+01 -0.172657D+01  0.238814D+01 -0.207113D+00  0.188546D+01
      4  -0.157554D+01 -0.379301D+01  0.712638D+01  0.595093D+00  0.555095D+01
      5  -0.548599D+01 -0.334786D+00  0.623827D+00  0.123376D+01  0.527767D+00
      6   0.498438D+00  0.947207D+00 -0.125332D+01 -0.196612D+01 -0.119422D+01
               131           132           133           134           135 
      1  -0.344924D+02 -0.306540D+01  0.759763D+00 -0.284201D+01 -0.158486D+01
      2   0.472111D+02  0.287055D+01 -0.108399D+01  0.371430D+01  0.226170D+01
      3  -0.127187D+02  0.194853D+00  0.324224D+00 -0.872298D+00 -0.676843D+00
      4   0.146320D+01  0.269483D+00  0.491493D+00  0.136714D+00 -0.118140D+01
      5   0.295174D+00 -0.479737D-01  0.691747D+00 -0.527964D+00 -0.268447D+00
      6   0.516304D+01  0.722836D+01 -0.284775D+00  0.250104D+01  0.927830D+00
               136           137           138           139           140 
      1   0.228857D+02  0.137978D+02  0.125923D+01  0.985683D+01  0.351606D+01
      2  -0.447012D+01  0.112384D+01 -0.521402D+00  0.609793D+01  0.169447D+02
      3  -0.184156D+02 -0.149216D+02 -0.737829D+00 -0.159548D+02 -0.204608D+02
      4   0.335719D+02  0.306830D+02  0.220308D+01  0.342275D+02  0.442487D+02
      5   0.344669D+01  0.248191D+01  0.626436D+01  0.340078D+01  0.390790D+01
      6   0.144469D+01  0.127333D+01  0.324945D+01  0.217420D+01  0.305313D+01
               141           142           143           144           145 
      1   0.331054D+00  0.869384D+00  0.165886D+00 -0.822404D-02  0.979601D+02
      2   0.389953D+00  0.451663D+00  0.134465D+01  0.851763D+00 -0.550315D+02
      3  -0.721007D+00 -0.132105D+01 -0.151054D+01 -0.843539D+00 -0.429286D+02
      4   0.346929D+01  0.319268D+01  0.383115D+01  0.209782D+01 -0.160753D+02
      5   0.556019D+01  0.177725D+01  0.159360D+01  0.775289D+00 -0.184369D+01
      6   0.586906D+01  0.125358D+01  0.196118D+01  0.886674D+00 -0.110797D+01
               146           147           148           149           150 
      1  -0.979708D+01 -0.158259D+01 -0.923194D+01  0.984980D+01  0.802359D+00
      2   0.473789D+01  0.103573D+01  0.392095D+01 -0.437141D+01 -0.693216D+00
      3   0.505919D+01  0.546858D+00  0.531098D+01 -0.547839D+01 -0.109143D+00
      4   0.108471D+02  0.934015D-01  0.165154D+02 -0.530114D+01 -0.469221D+00
      5   0.100407D-01  0.107120D+02  0.156522D+01 -0.394904D+00 -0.134992D+01
      6   0.326056D-01 -0.988455D+00 -0.160740D+00 -0.955113D-01  0.173407D+01
               151           152           153           154           155 
      1  -0.148822D+01  0.850013D+00  0.250944D+01  0.524538D+01 -0.414308D+01
      2   0.771377D+00 -0.468549D+00 -0.148733D+01  0.377760D+01 -0.598840D+01
      3   0.716840D+00 -0.381464D+00 -0.102211D+01 -0.902298D+01  0.101315D+02
      4   0.163134D+01 -0.584580D+00 -0.472947D+00 -0.181621D+02  0.233070D+02
      5   0.174998D+01 -0.281684D+00 -0.372992D+00 -0.177849D+01  0.193925D+01
      6  -0.111261D+00  0.687200D+00  0.186251D+00  0.134172D+01 -0.146965D+01
               156           157           158           159           160 
      1  -0.478905D+00  0.584619D+00 -0.171385D+02 -0.165623D+01  0.137400D-01
      2  -0.188734D+00 -0.118898D+02  0.409452D+02  0.265559D+01 -0.967713D+00
      3   0.667640D+00  0.113052D+02 -0.238068D+02 -0.999356D+00  0.953973D+00
      4   0.210885D+01  0.247458D+02 -0.481123D+02 -0.445555D+01  0.241979D+01
      5   0.385941D+01  0.230492D+01 -0.411830D+01 -0.509438D+01  0.131476D+01
      6  -0.232929D+01 -0.230519D+01  0.568327D+01  0.776017D+01 -0.123554D+01
               161           162           163           164           165 
      1  -0.161565D+01 -0.122369D+01 -0.404500D+01 -0.694790D+01 -0.859116D+00
      2   0.358073D+01  0.204716D+01  0.557136D+01  0.972777D+01  0.689241D+00
      3  -0.196508D+01 -0.823468D+00 -0.152636D+01 -0.277987D+01  0.169875D+00
      4  -0.481848D+01 -0.188835D+01  0.868211D+01  0.807500D+01  0.431180D+00
      5  -0.114393D+01 -0.767041D+00 -0.942961D-01  0.360080D+00  0.220519D+01
      6   0.255108D+01  0.130990D+01  0.566574D+00  0.111290D+01  0.228845D+01
               166           167           168           169           170 
      1  -0.801830D+01 -0.203922D+02 -0.209159D+01 -0.749328D+00 -0.166436D+01
      2   0.108509D+02  0.274435D+02  0.159868D+01  0.122694D+01  0.218217D+01
      3  -0.283262D+01 -0.705135D+01  0.492912D+00 -0.477612D+00 -0.517805D+00
      4   0.855468D+01  0.840420D+01  0.475309D+00  0.672385D+00  0.698988D+00
      5   0.488528D+00  0.485486D+00  0.174174D+01  0.941261D+00  0.539621D+00
      6   0.128913D+01  0.273751D+01  0.513467D+01  0.353545D+00  0.168409D+01
               171           172           173           174           175 
      1  -0.404586D+00  0.729823D+02 -0.180877D+01  0.109933D+02 -0.701936D+01
      2   0.102357D+01 -0.403758D+02  0.775013D+00 -0.886763D+01  0.157587D+01
      3  -0.618986D+00 -0.326065D+02  0.103375D+01 -0.212568D+01  0.544349D+01
      4   0.187270D+01 -0.378851D+01  0.870718D+01  0.578684D+00  0.674338D+01
      5   0.139902D+00  0.351811D+02  0.582027D+00  0.153794D+02  0.806842D-01
      6   0.566888D+00 -0.673334D+00  0.295998D+01  0.238527D+00  0.414217D+00
               176           177           178           179           180 
      1   0.179651D+01  0.296625D+01  0.522859D+01  0.360509D+01  0.153452D+01
      2  -0.654641D+00 -0.153686D+01 -0.431131D+01 -0.929487D+00 -0.300510D+01
      3  -0.114187D+01 -0.142939D+01 -0.917279D+00 -0.267561D+01  0.147058D+01
      4  -0.177136D+01  0.207259D+01  0.347221D+01  0.137895D+01 -0.699667D+00
      5   0.240853D+01 -0.624277D+00  0.853116D+01  0.502955D+00  0.439221D+01
      6  -0.537522D+00  0.217449D+01  0.152233D+01  0.190177D+01 -0.438674D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.488528D+00      0.124171D+01      0.414191D+01
   x          0.245672D+00      0.624437D+00      0.208290D+01
   y          0.306186D+00      0.778248D+00      0.259596D+01
   z         -0.290782D+00     -0.739095D+00     -0.246536D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.990668D+02      0.146802D+02      0.163339D+02
   aniso      0.481404D+02      0.713368D+01      0.793729D+01
   xx         0.126027D+03      0.186753D+02      0.207790D+02
   yx         0.233992D+00      0.346741D-01      0.385801D-01
   yy         0.100325D+03      0.148666D+02      0.165413D+02
   zx        -0.475344D+00     -0.704387D-01     -0.783737D-01
   zy         0.314265D+01      0.465692D+00      0.518152D+00
   zz         0.708488D+02      0.104987D+02      0.116814D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108364D+03      0.160579D+02      0.178669D+02
   aniso      0.485256D+02      0.719076D+01      0.800080D+01
   xx         0.135796D+03      0.201228D+02      0.223897D+02
   yx         0.879471D+00      0.130324D+00      0.145005D+00
   yy         0.109287D+03      0.161947D+02      0.180191D+02
   zx        -0.761137D+00     -0.112789D+00     -0.125495D+00
   zy         0.221688D+01      0.328507D+00      0.365513D+00
   zz         0.800100D+02      0.118563D+02      0.131919D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -3.16264946         -2.64831002         -0.27778944
     6         -0.93351667         -1.80403370          0.82033765
     6          0.26368603          0.37719244         -0.05123014
     6         -0.83459396          1.69448755         -2.04621225
     6         -3.07174258          0.86616067         -3.14556156
     6         -4.24272983         -1.31177548         -2.26499903
     6          2.71662331          1.28124023          1.11439242
     7          4.77041665         -0.43212748          0.35650236
     6          2.49356907          1.66247434          3.97928923
     1          4.34187185         -2.23750951          0.83547126
     1          3.15080572          3.11696807          0.27079024
     1          2.09365808         -0.11848481          4.94091989
     1          0.98361194          2.99179990          4.43991829
     1          4.26260304          2.40891876          4.73766965
     1          0.08062436          3.38429690         -2.75161921
     1         -3.89567118          1.91962729         -4.69371475
     1         -5.98359732         -1.96365186         -3.11810447
     1         -4.06203660         -4.34703777          0.42313092
     1         -0.12779218         -2.86030940          2.37789561
     1          6.39112054          0.02566040          1.27275774

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.488528D+00      0.124171D+01      0.414191D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.488528D+00      0.124171D+01      0.414191D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.990668D+02      0.146802D+02      0.163339D+02
   aniso      0.481404D+02      0.713368D+01      0.793729D+01
   xx         0.109965D+03      0.162951D+02      0.181308D+02
   yx         0.128074D+02      0.189786D+01      0.211165D+01
   yy         0.927666D+02      0.137466D+02      0.152951D+02
   zx         0.212773D+02      0.315296D+01      0.350815D+01
   zy        -0.812091D+01     -0.120339D+01     -0.133896D+01
   zz         0.944689D+02      0.139988D+02      0.155758D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108364D+03      0.160579D+02      0.178669D+02
   aniso      0.485256D+02      0.719076D+01      0.800080D+01
   xx         0.119276D+03      0.176749D+02      0.196659D+02
   yx         0.128028D+02      0.189718D+01      0.211090D+01
   yy         0.100843D+03      0.149433D+02      0.166267D+02
   zx         0.215053D+02      0.318676D+01      0.354575D+01
   zy        -0.805958D+01     -0.119431D+01     -0.132885D+01
   zz         0.104974D+03      0.155556D+02      0.173080D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U23-36\Freq\RLC-PBEPBE\Gen\C8H11N1\PIERPA\16-Aug-2021\0\\
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=028200000
 0,3/108=0282000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )\\ROA calculations.\\0,1\C,-1.759102,1.294865,0.124219\C,-0.385999,1.
 089252,0.091522\C,0.14322,-0.195011,-0.038794\C,-0.738993,-1.267271,-0
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 488249\Quadrupole=3.880654,1.4418845,-5.3225385,0.9087767,-0.3899098,2
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 BLESSED ARE THOSE WHO NOUGHT EXPECT,
 FOR THEY SHALL NOT BE DISAPPOINTED..  WALCOT - ODE TO PITT
 Job cpu time:       0 days  3 hours 24 minutes  9.5 seconds.
 Elapsed time:       0 days  0 hours 25 minutes 35.6 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:47:43 2021.
